USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) HEADER ELECTRON TRANSPORT 13-MAR-01 1I8C TITLE SOLUTION STRUCTURE OF THE WATER-SOLUBLE FRAGMENT OF RAT TITLE 2 HEPATIC APOCYTOCHROME B5 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME B5; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: WATER-SOLUBLE DOMAIN (RESIDUES 1-98); COMPND 5 SYNONYM: APOCYTOCHROME B5; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET3D KEYWDS APO HEMOPROTEIN, ELECTRON TRANSPORT EXPDTA SOLUTION NMR AUTHOR C.J.FALZONE,Y.WANG,B.C.VU,N.L.SCOTT,S.BHATTACHARYA, AUTHOR 2 J.T.LECOMTE REVDAT 2 24-FEB-09 1I8C 1 VERSN REVDAT 1 16-MAY-01 1I8C 0 JRNL AUTH C.J.FALZONE,Y.WANG,B.C.VU,N.L.SCOTT,S.BHATTACHARYA, JRNL AUTH 2 J.T.LECOMTE JRNL TITL STRUCTURAL AND DYNAMIC PERTURBATIONS INDUCED BY JRNL TITL 2 HEME BINDING IN CYTOCHROME B5. JRNL REF BIOCHEMISTRY V. 40 4879 2001 JRNL REFN ISSN 0006-2960 JRNL PMID 11294656 JRNL DOI 10.1021/BI002681G REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH C.J.FALZONE,M.R.MAYER,E.L.WHITEMAN,C.D.MOORE, REMARK 1 AUTH 2 J.T.J.LECOMTE REMARK 1 TITL DESIGN CHALLENGES FOR HEMOPROTEINS: THE SOLUTION REMARK 1 TITL 2 STRUCTURE OF APOCYTOCHROME B5 REMARK 1 REF BIOCHEMISTRY V. 35 6519 1996 REMARK 1 REFN ISSN 0006-2960 REMARK 1 DOI 10.1021/BI960501Q REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HIS 26, 27, 39, 63, AND 80 WERE REMARK 3 PROTONATED AT THE NE2 POSITION IN ACCORDANCE TO 15N NMR DATA. REMARK 3 HIS 15 HAS A HIGH PK AND WAS PROTONATED AT THE ND1 AND NE2 REMARK 3 POSITIONS. ADDITIONAL DETAILS ARE PROVIDED IN THE PRIMARY REMARK 3 CITATION. REMARK 4 REMARK 4 1I8C COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-MAR-01. REMARK 100 THE RCSB ID CODE IS RCSB013031. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.2 REMARK 210 IONIC STRENGTH : LOW REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM APOCYTOCHROME B5, 13C, REMARK 210 15N; 1 MM APOCYTOCHROME B5, REMARK 210 15N; 2 MM APOCYTOCHROME B5; 2 REMARK 210 MM APOCYTOCHROME B5 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, 2D-NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX, AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.5, FELIX 97, X-PLOR REMARK 210 3.851 REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE AMINO ACID SEQUENCE NUMBERING FOLLOWS THE BOVINE REMARK 210 SCHEME, WITH THE FIRST FOUR RESIDUES GIVEN NEGATIVE VALUES. REMARK 210 THESE FOUR RESIDUES ARE DISORDERED AND NOT INCLUDED IN THE REMARK 210 COORDINATES. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 ALA A -3 REMARK 465 GLU A -2 REMARK 465 GLN A -1 REMARK 465 SER A 0 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 2 -86.21 56.38 REMARK 500 ASP A 3 -176.65 -60.48 REMARK 500 LYS A 16 -71.82 -76.15 REMARK 500 SER A 18 -91.00 45.76 REMARK 500 LYS A 19 -40.84 -168.54 REMARK 500 TRP A 22 79.43 -107.69 REMARK 500 LEU A 25 -74.18 -93.53 REMARK 500 HIS A 27 -42.75 -136.28 REMARK 500 ASP A 31 74.86 -102.09 REMARK 500 PRO A 40 92.62 -53.00 REMARK 500 GLU A 43 -59.55 -132.55 REMARK 500 LEU A 46 105.39 -59.60 REMARK 500 GLU A 48 -63.14 67.05 REMARK 500 GLN A 49 81.09 54.45 REMARK 500 ALA A 50 -41.11 -167.45 REMARK 500 ASP A 53 -63.02 -167.28 REMARK 500 ASP A 60 -76.51 -101.83 REMARK 500 HIS A 63 -50.32 -147.33 REMARK 500 SER A 64 -84.24 57.74 REMARK 500 SER A 71 81.50 -65.62 REMARK 500 LYS A 72 -41.03 -169.31 REMARK 500 TYR A 74 48.77 -90.30 REMARK 500 SER A 85 -89.19 -90.34 REMARK 500 LYS A 86 94.25 -178.97 REMARK 500 ALA A 88 76.12 -68.44 REMARK 500 PRO A 90 -176.79 -52.02 REMARK 500 SER A 91 -79.12 -59.59 REMARK 500 GLU A 92 34.80 -172.04 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1I87 RELATED DB: PDB REMARK 900 ENSEMBLE OF 20 CONFORMERS FROM WHICH THIS AVERAGE WAS REMARK 900 CALCULATED DBREF 1I8C A -3 94 UNP P00173 CYB5_RAT 1 98 SEQRES 1 A 98 ALA GLU GLN SER ASP LYS ASP VAL LYS TYR TYR THR LEU SEQRES 2 A 98 GLU GLU ILE GLN LYS HIS LYS ASP SER LYS SER THR TRP SEQRES 3 A 98 VAL ILE LEU HIS HIS LYS VAL TYR ASP LEU THR LYS PHE SEQRES 4 A 98 LEU GLU GLU HIS PRO GLY GLY GLU GLU VAL LEU ARG GLU SEQRES 5 A 98 GLN ALA GLY GLY ASP ALA THR GLU ASN PHE GLU ASP VAL SEQRES 6 A 98 GLY HIS SER THR ASP ALA ARG GLU LEU SER LYS THR TYR SEQRES 7 A 98 ILE ILE GLY GLU LEU HIS PRO ASP ASP ARG SER LYS ILE SEQRES 8 A 98 ALA LYS PRO SER GLU THR LEU HELIX 1 1 THR A 8 GLN A 13 1 6 HELIX 2 2 LEU A 32 HIS A 39 1 8 HELIX 3 3 HIS A 80 SER A 85 1 6 SHEET 1 A 4 TYR A 6 TYR A 7 0 SHEET 2 A 4 GLY A 77 LEU A 79 1 O GLU A 78 N TYR A 7 SHEET 3 A 4 LYS A 28 ASP A 31 -1 N VAL A 29 O GLY A 77 SHEET 4 A 4 TRP A 22 ILE A 24 -1 O VAL A 23 N TYR A 30 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HE2:sc= -6.07! C(o=-9.5!,f=-12!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -3.45 K(o=-9.5,f=-13!) USER MOD Set 2.1: A 26 HIS : no HE2:sc=-0.000675 K(o=0.9,f=-8.6!) USER MOD Set 2.2: A 55 THR OG1 : rot -165:sc= 0.904 USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0.442 USER MOD Set 3.2: A 33 THR OG1 : rot 126:sc= 1.2 USER MOD Single : A 1 ASP N :NH3+ -138:sc= 0.0452 (180deg=-0.396) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.989 USER MOD Single : A 8 THR OG1 : rot 140:sc= -1.93 USER MOD Single : A 13 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.48) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0232) USER MOD Single : A 18 SER OG : rot 180:sc= -0.979 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -5.74 K(o=-5.7,f=-13!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.0037) USER MOD Single : A 57 ASN : amide:sc= -0.106 K(o=-0.11,f=-0.63) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 56:sc= 0.0453 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 67:sc= 1.2 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0622 K(o=-0.062,f=-3.5!) USER MOD Single : A 85 SER OG : rot 180:sc=-0.00217 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc=-0.00832 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.842 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.814 4.862 14.763 1.00 5.99 N ATOM 2 CA ASP A 1 -6.376 5.088 15.086 1.00 5.48 C ATOM 3 C ASP A 1 -5.717 3.774 15.513 1.00 4.58 C ATOM 4 O ASP A 1 -6.369 2.757 15.632 1.00 4.84 O ATOM 5 CB ASP A 1 -6.382 6.087 16.244 1.00 5.87 C ATOM 6 CG ASP A 1 -6.989 7.410 15.775 1.00 6.41 C ATOM 7 OD1 ASP A 1 -6.440 7.999 14.858 1.00 6.96 O ATOM 8 OD2 ASP A 1 -7.993 7.812 16.340 1.00 6.60 O ATOM 0 H1 ASP A 1 -8.065 5.394 13.905 1.00 5.99 H new ATOM 0 H2 ASP A 1 -7.978 3.848 14.602 1.00 5.99 H new ATOM 0 H3 ASP A 1 -8.403 5.187 15.556 1.00 5.99 H new ATOM 0 HA ASP A 1 -5.814 5.461 14.230 1.00 5.48 H new ATOM 0 HB2 ASP A 1 -6.956 5.687 17.080 1.00 5.87 H new ATOM 0 HB3 ASP A 1 -5.366 6.248 16.604 1.00 5.87 H new ATOM 13 N LYS A 2 -4.433 3.805 15.783 1.00 3.91 N ATOM 14 CA LYS A 2 -3.709 2.577 16.250 1.00 3.42 C ATOM 15 C LYS A 2 -3.878 1.425 15.240 1.00 2.39 C ATOM 16 O LYS A 2 -3.059 1.255 14.355 1.00 2.40 O ATOM 17 CB LYS A 2 -4.317 2.233 17.621 1.00 4.28 C ATOM 18 CG LYS A 2 -3.670 0.958 18.172 1.00 4.86 C ATOM 19 CD LYS A 2 -3.559 1.057 19.696 1.00 5.67 C ATOM 20 CE LYS A 2 -4.766 0.373 20.342 1.00 6.47 C ATOM 21 NZ LYS A 2 -5.732 1.475 20.613 1.00 7.34 N ATOM 0 H LYS A 2 -3.849 4.637 15.699 1.00 3.91 H new ATOM 0 HA LYS A 2 -2.635 2.743 16.332 1.00 3.42 H new ATOM 0 HB2 LYS A 2 -4.162 3.059 18.315 1.00 4.28 H new ATOM 0 HB3 LYS A 2 -5.394 2.093 17.527 1.00 4.28 H new ATOM 0 HG2 LYS A 2 -4.265 0.087 17.896 1.00 4.86 H new ATOM 0 HG3 LYS A 2 -2.682 0.820 17.733 1.00 4.86 H new ATOM 0 HD2 LYS A 2 -2.636 0.586 20.035 1.00 5.67 H new ATOM 0 HD3 LYS A 2 -3.514 2.103 20.001 1.00 5.67 H new ATOM 0 HE2 LYS A 2 -5.198 -0.376 19.678 1.00 6.47 H new ATOM 0 HE3 LYS A 2 -4.484 -0.140 21.261 1.00 6.47 H new ATOM 0 HZ1 LYS A 2 -6.588 1.085 21.057 1.00 7.34 H new ATOM 0 HZ2 LYS A 2 -5.296 2.169 21.253 1.00 7.34 H new ATOM 0 HZ3 LYS A 2 -5.987 1.941 19.719 1.00 7.34 H new ATOM 35 N ASP A 3 -4.937 0.655 15.341 1.00 2.11 N ATOM 36 CA ASP A 3 -5.158 -0.454 14.360 1.00 1.34 C ATOM 37 C ASP A 3 -5.275 0.108 12.940 1.00 1.39 C ATOM 38 O ASP A 3 -5.163 1.300 12.724 1.00 2.38 O ATOM 39 CB ASP A 3 -6.472 -1.115 14.784 1.00 1.87 C ATOM 40 CG ASP A 3 -6.247 -1.927 16.060 1.00 2.04 C ATOM 41 OD1 ASP A 3 -6.231 -1.330 17.124 1.00 2.50 O ATOM 42 OD2 ASP A 3 -6.094 -3.133 15.952 1.00 2.49 O ATOM 0 H ASP A 3 -5.656 0.747 16.059 1.00 2.11 H new ATOM 0 HA ASP A 3 -4.331 -1.164 14.355 1.00 1.34 H new ATOM 0 HB2 ASP A 3 -7.235 -0.355 14.954 1.00 1.87 H new ATOM 0 HB3 ASP A 3 -6.839 -1.763 13.988 1.00 1.87 H new ATOM 47 N VAL A 4 -5.538 -0.741 11.979 1.00 0.60 N ATOM 48 CA VAL A 4 -5.710 -0.262 10.572 1.00 0.55 C ATOM 49 C VAL A 4 -6.908 0.692 10.483 1.00 0.53 C ATOM 50 O VAL A 4 -7.951 0.451 11.062 1.00 0.70 O ATOM 51 CB VAL A 4 -5.951 -1.535 9.742 1.00 0.59 C ATOM 52 CG1 VAL A 4 -6.318 -1.173 8.297 1.00 0.66 C ATOM 53 CG2 VAL A 4 -4.676 -2.379 9.730 1.00 0.68 C ATOM 0 H VAL A 4 -5.641 -1.748 12.108 1.00 0.60 H new ATOM 0 HA VAL A 4 -4.843 0.292 10.211 1.00 0.55 H new ATOM 0 HB VAL A 4 -6.772 -2.094 10.191 1.00 0.59 H new ATOM 0 HG11 VAL A 4 -6.485 -2.085 7.725 1.00 0.66 H new ATOM 0 HG12 VAL A 4 -7.226 -0.570 8.292 1.00 0.66 H new ATOM 0 HG13 VAL A 4 -5.504 -0.606 7.846 1.00 0.66 H new ATOM 0 HG21 VAL A 4 -4.843 -3.282 9.143 1.00 0.68 H new ATOM 0 HG22 VAL A 4 -3.863 -1.804 9.288 1.00 0.68 H new ATOM 0 HG23 VAL A 4 -4.412 -2.654 10.751 1.00 0.68 H new ATOM 63 N LYS A 5 -6.790 1.716 9.679 1.00 0.55 N ATOM 64 CA LYS A 5 -7.945 2.631 9.442 1.00 0.57 C ATOM 65 C LYS A 5 -8.486 2.417 8.027 1.00 0.52 C ATOM 66 O LYS A 5 -7.908 1.687 7.242 1.00 0.80 O ATOM 67 CB LYS A 5 -7.371 4.041 9.592 1.00 0.65 C ATOM 68 CG LYS A 5 -8.422 4.957 10.224 1.00 1.15 C ATOM 69 CD LYS A 5 -8.282 6.368 9.647 1.00 1.43 C ATOM 70 CE LYS A 5 -8.627 7.398 10.724 1.00 1.97 C ATOM 71 NZ LYS A 5 -8.830 8.674 9.984 1.00 2.70 N ATOM 0 H LYS A 5 -5.938 1.959 9.174 1.00 0.55 H new ATOM 0 HA LYS A 5 -8.769 2.456 10.134 1.00 0.57 H new ATOM 0 HB2 LYS A 5 -6.475 4.016 10.212 1.00 0.65 H new ATOM 0 HB3 LYS A 5 -7.074 4.429 8.618 1.00 0.65 H new ATOM 0 HG2 LYS A 5 -9.422 4.570 10.028 1.00 1.15 H new ATOM 0 HG3 LYS A 5 -8.296 4.981 11.306 1.00 1.15 H new ATOM 0 HD2 LYS A 5 -7.264 6.527 9.290 1.00 1.43 H new ATOM 0 HD3 LYS A 5 -8.943 6.488 8.789 1.00 1.43 H new ATOM 0 HE2 LYS A 5 -9.525 7.112 11.271 1.00 1.97 H new ATOM 0 HE3 LYS A 5 -7.824 7.489 11.455 1.00 1.97 H new ATOM 0 HZ1 LYS A 5 -9.071 9.430 10.656 1.00 2.70 H new ATOM 0 HZ2 LYS A 5 -7.956 8.925 9.478 1.00 2.70 H new ATOM 0 HZ3 LYS A 5 -9.605 8.559 9.300 1.00 2.70 H new ATOM 85 N TYR A 6 -9.564 3.073 7.681 1.00 0.38 N ATOM 86 CA TYR A 6 -10.112 2.937 6.299 1.00 0.33 C ATOM 87 C TYR A 6 -9.839 4.208 5.493 1.00 0.30 C ATOM 88 O TYR A 6 -10.569 5.178 5.577 1.00 0.38 O ATOM 89 CB TYR A 6 -11.614 2.722 6.484 1.00 0.41 C ATOM 90 CG TYR A 6 -11.884 1.249 6.673 1.00 0.45 C ATOM 91 CD1 TYR A 6 -11.251 0.551 7.708 1.00 1.34 C ATOM 92 CD2 TYR A 6 -12.764 0.580 5.814 1.00 1.21 C ATOM 93 CE1 TYR A 6 -11.497 -0.816 7.885 1.00 1.39 C ATOM 94 CE2 TYR A 6 -13.010 -0.787 5.990 1.00 1.24 C ATOM 95 CZ TYR A 6 -12.376 -1.485 7.026 1.00 0.63 C ATOM 96 OH TYR A 6 -12.619 -2.832 7.199 1.00 0.75 O ATOM 0 H TYR A 6 -10.088 3.696 8.296 1.00 0.38 H new ATOM 0 HA TYR A 6 -9.652 2.114 5.752 1.00 0.33 H new ATOM 0 HB2 TYR A 6 -11.970 3.283 7.348 1.00 0.41 H new ATOM 0 HB3 TYR A 6 -12.157 3.095 5.616 1.00 0.41 H new ATOM 0 HD1 TYR A 6 -10.572 1.067 8.371 1.00 1.34 H new ATOM 0 HD2 TYR A 6 -13.253 1.118 5.016 1.00 1.21 H new ATOM 0 HE1 TYR A 6 -11.009 -1.354 8.684 1.00 1.39 H new ATOM 0 HE2 TYR A 6 -13.689 -1.303 5.327 1.00 1.24 H new ATOM 0 HH TYR A 6 -13.254 -3.140 6.519 1.00 0.75 H new ATOM 106 N TYR A 7 -8.815 4.187 4.679 1.00 0.27 N ATOM 107 CA TYR A 7 -8.507 5.369 3.820 1.00 0.32 C ATOM 108 C TYR A 7 -9.448 5.395 2.612 1.00 0.40 C ATOM 109 O TYR A 7 -10.104 4.417 2.308 1.00 0.77 O ATOM 110 CB TYR A 7 -7.058 5.167 3.373 1.00 0.35 C ATOM 111 CG TYR A 7 -6.124 5.547 4.500 1.00 0.32 C ATOM 112 CD1 TYR A 7 -6.110 4.798 5.685 1.00 1.19 C ATOM 113 CD2 TYR A 7 -5.273 6.649 4.360 1.00 1.32 C ATOM 114 CE1 TYR A 7 -5.245 5.154 6.727 1.00 1.20 C ATOM 115 CE2 TYR A 7 -4.408 7.004 5.402 1.00 1.37 C ATOM 116 CZ TYR A 7 -4.394 6.256 6.585 1.00 0.48 C ATOM 117 OH TYR A 7 -3.542 6.607 7.613 1.00 0.61 O ATOM 0 H TYR A 7 -8.177 3.399 4.572 1.00 0.27 H new ATOM 0 HA TYR A 7 -8.639 6.314 4.347 1.00 0.32 H new ATOM 0 HB2 TYR A 7 -6.896 4.128 3.087 1.00 0.35 H new ATOM 0 HB3 TYR A 7 -6.850 5.776 2.493 1.00 0.35 H new ATOM 0 HD1 TYR A 7 -6.766 3.947 5.794 1.00 1.19 H new ATOM 0 HD2 TYR A 7 -5.284 7.226 3.447 1.00 1.32 H new ATOM 0 HE1 TYR A 7 -5.235 4.578 7.641 1.00 1.20 H new ATOM 0 HE2 TYR A 7 -3.752 7.855 5.293 1.00 1.37 H new ATOM 0 HH TYR A 7 -3.020 7.394 7.351 1.00 0.61 H new ATOM 127 N THR A 8 -9.504 6.501 1.914 1.00 0.36 N ATOM 128 CA THR A 8 -10.386 6.588 0.711 1.00 0.42 C ATOM 129 C THR A 8 -9.574 6.350 -0.565 1.00 0.38 C ATOM 130 O THR A 8 -8.358 6.336 -0.544 1.00 0.45 O ATOM 131 CB THR A 8 -10.948 8.010 0.733 1.00 0.53 C ATOM 132 OG1 THR A 8 -9.876 8.941 0.717 1.00 0.54 O ATOM 133 CG2 THR A 8 -11.784 8.211 1.998 1.00 0.62 C ATOM 0 H THR A 8 -8.977 7.348 2.126 1.00 0.36 H new ATOM 0 HA THR A 8 -11.176 5.837 0.726 1.00 0.42 H new ATOM 0 HB THR A 8 -11.578 8.166 -0.143 1.00 0.53 H new ATOM 0 HG1 THR A 8 -10.105 9.693 0.132 1.00 0.54 H new ATOM 0 HG21 THR A 8 -12.184 9.225 2.013 1.00 0.62 H new ATOM 0 HG22 THR A 8 -12.607 7.496 2.008 1.00 0.62 H new ATOM 0 HG23 THR A 8 -11.158 8.055 2.876 1.00 0.62 H new ATOM 141 N LEU A 9 -10.243 6.199 -1.680 1.00 0.50 N ATOM 142 CA LEU A 9 -9.523 6.002 -2.974 1.00 0.52 C ATOM 143 C LEU A 9 -9.073 7.351 -3.546 1.00 0.46 C ATOM 144 O LEU A 9 -8.093 7.432 -4.262 1.00 0.48 O ATOM 145 CB LEU A 9 -10.549 5.342 -3.899 1.00 0.71 C ATOM 146 CG LEU A 9 -9.861 4.268 -4.747 1.00 0.54 C ATOM 147 CD1 LEU A 9 -9.594 3.030 -3.885 1.00 0.86 C ATOM 148 CD2 LEU A 9 -10.762 3.888 -5.933 1.00 0.75 C ATOM 0 H LEU A 9 -11.261 6.204 -1.750 1.00 0.50 H new ATOM 0 HA LEU A 9 -8.625 5.395 -2.858 1.00 0.52 H new ATOM 0 HB2 LEU A 9 -11.351 4.896 -3.310 1.00 0.71 H new ATOM 0 HB3 LEU A 9 -11.007 6.092 -4.545 1.00 0.71 H new ATOM 0 HG LEU A 9 -8.916 4.657 -5.126 1.00 0.54 H new ATOM 0 HD11 LEU A 9 -9.104 2.265 -4.488 1.00 0.86 H new ATOM 0 HD12 LEU A 9 -8.949 3.301 -3.049 1.00 0.86 H new ATOM 0 HD13 LEU A 9 -10.538 2.642 -3.504 1.00 0.86 H new ATOM 0 HD21 LEU A 9 -10.269 3.124 -6.534 1.00 0.75 H new ATOM 0 HD22 LEU A 9 -11.710 3.501 -5.560 1.00 0.75 H new ATOM 0 HD23 LEU A 9 -10.946 4.770 -6.547 1.00 0.75 H new ATOM 160 N GLU A 10 -9.768 8.410 -3.213 1.00 0.53 N ATOM 161 CA GLU A 10 -9.369 9.762 -3.711 1.00 0.60 C ATOM 162 C GLU A 10 -8.196 10.308 -2.892 1.00 0.57 C ATOM 163 O GLU A 10 -7.384 11.066 -3.388 1.00 0.68 O ATOM 164 CB GLU A 10 -10.608 10.638 -3.522 1.00 0.75 C ATOM 165 CG GLU A 10 -11.726 10.148 -4.445 1.00 0.86 C ATOM 166 CD GLU A 10 -12.933 11.081 -4.326 1.00 1.36 C ATOM 167 OE1 GLU A 10 -12.722 12.276 -4.196 1.00 2.05 O ATOM 168 OE2 GLU A 10 -14.046 10.585 -4.367 1.00 2.00 O ATOM 0 H GLU A 10 -10.596 8.396 -2.617 1.00 0.53 H new ATOM 0 HA GLU A 10 -9.043 9.736 -4.751 1.00 0.60 H new ATOM 0 HB2 GLU A 10 -10.937 10.601 -2.484 1.00 0.75 H new ATOM 0 HB3 GLU A 10 -10.368 11.678 -3.744 1.00 0.75 H new ATOM 0 HG2 GLU A 10 -11.375 10.121 -5.476 1.00 0.86 H new ATOM 0 HG3 GLU A 10 -12.012 9.130 -4.179 1.00 0.86 H new ATOM 175 N GLU A 11 -8.084 9.901 -1.652 1.00 0.49 N ATOM 176 CA GLU A 11 -6.942 10.367 -0.807 1.00 0.56 C ATOM 177 C GLU A 11 -5.660 9.623 -1.192 1.00 0.53 C ATOM 178 O GLU A 11 -4.593 10.205 -1.261 1.00 0.67 O ATOM 179 CB GLU A 11 -7.346 10.034 0.631 1.00 0.60 C ATOM 180 CG GLU A 11 -6.269 10.535 1.596 1.00 0.81 C ATOM 181 CD GLU A 11 -6.891 10.783 2.971 1.00 1.49 C ATOM 182 OE1 GLU A 11 -7.384 11.878 3.188 1.00 2.14 O ATOM 183 OE2 GLU A 11 -6.864 9.874 3.784 1.00 2.16 O ATOM 0 H GLU A 11 -8.734 9.266 -1.189 1.00 0.49 H new ATOM 0 HA GLU A 11 -6.742 11.431 -0.936 1.00 0.56 H new ATOM 0 HB2 GLU A 11 -8.304 10.497 0.867 1.00 0.60 H new ATOM 0 HB3 GLU A 11 -7.477 8.958 0.743 1.00 0.60 H new ATOM 0 HG2 GLU A 11 -5.467 9.801 1.675 1.00 0.81 H new ATOM 0 HG3 GLU A 11 -5.824 11.454 1.215 1.00 0.81 H new ATOM 190 N ILE A 12 -5.765 8.351 -1.483 1.00 0.43 N ATOM 191 CA ILE A 12 -4.562 7.573 -1.912 1.00 0.50 C ATOM 192 C ILE A 12 -4.177 7.953 -3.347 1.00 0.54 C ATOM 193 O ILE A 12 -3.018 7.913 -3.716 1.00 0.63 O ATOM 194 CB ILE A 12 -4.982 6.100 -1.834 1.00 0.52 C ATOM 195 CG1 ILE A 12 -5.396 5.761 -0.399 1.00 0.56 C ATOM 196 CG2 ILE A 12 -3.807 5.207 -2.243 1.00 0.67 C ATOM 197 CD1 ILE A 12 -6.025 4.367 -0.364 1.00 0.85 C ATOM 0 H ILE A 12 -6.633 7.817 -1.442 1.00 0.43 H new ATOM 0 HA ILE A 12 -3.694 7.775 -1.284 1.00 0.50 H new ATOM 0 HB ILE A 12 -5.821 5.930 -2.508 1.00 0.52 H new ATOM 0 HG12 ILE A 12 -4.528 5.796 0.259 1.00 0.56 H new ATOM 0 HG13 ILE A 12 -6.106 6.501 -0.030 1.00 0.56 H new ATOM 0 HG21 ILE A 12 -4.108 4.161 -2.187 1.00 0.67 H new ATOM 0 HG22 ILE A 12 -3.508 5.444 -3.264 1.00 0.67 H new ATOM 0 HG23 ILE A 12 -2.967 5.380 -1.570 1.00 0.67 H new ATOM 0 HD11 ILE A 12 -6.319 4.126 0.657 1.00 0.85 H new ATOM 0 HD12 ILE A 12 -6.904 4.348 -1.009 1.00 0.85 H new ATOM 0 HD13 ILE A 12 -5.301 3.632 -0.716 1.00 0.85 H new ATOM 209 N GLN A 13 -5.135 8.364 -4.140 1.00 0.58 N ATOM 210 CA GLN A 13 -4.825 8.801 -5.536 1.00 0.69 C ATOM 211 C GLN A 13 -4.535 10.309 -5.589 1.00 0.72 C ATOM 212 O GLN A 13 -4.571 10.912 -6.646 1.00 0.91 O ATOM 213 CB GLN A 13 -6.083 8.471 -6.339 1.00 0.77 C ATOM 214 CG GLN A 13 -6.150 6.963 -6.588 1.00 0.71 C ATOM 215 CD GLN A 13 -6.919 6.693 -7.883 1.00 1.07 C ATOM 216 OE1 GLN A 13 -6.805 7.435 -8.837 1.00 1.82 O ATOM 217 NE2 GLN A 13 -7.704 5.652 -7.956 1.00 1.40 N ATOM 0 H GLN A 13 -6.120 8.416 -3.880 1.00 0.58 H new ATOM 0 HA GLN A 13 -3.939 8.303 -5.929 1.00 0.69 H new ATOM 0 HB2 GLN A 13 -6.970 8.800 -5.797 1.00 0.77 H new ATOM 0 HB3 GLN A 13 -6.072 9.007 -7.288 1.00 0.77 H new ATOM 0 HG2 GLN A 13 -5.144 6.550 -6.657 1.00 0.71 H new ATOM 0 HG3 GLN A 13 -6.641 6.467 -5.751 1.00 0.71 H new ATOM 0 HE21 GLN A 13 -7.800 5.028 -7.155 1.00 1.40 H new ATOM 0 HE22 GLN A 13 -8.221 5.462 -8.814 1.00 1.40 H new ATOM 226 N LYS A 14 -4.210 10.914 -4.471 1.00 0.73 N ATOM 227 CA LYS A 14 -3.874 12.369 -4.471 1.00 0.82 C ATOM 228 C LYS A 14 -2.372 12.571 -4.245 1.00 0.92 C ATOM 229 O LYS A 14 -1.802 13.559 -4.667 1.00 1.20 O ATOM 230 CB LYS A 14 -4.674 12.960 -3.310 1.00 0.92 C ATOM 231 CG LYS A 14 -4.912 14.451 -3.559 1.00 1.60 C ATOM 232 CD LYS A 14 -6.169 14.632 -4.413 1.00 2.26 C ATOM 233 CE LYS A 14 -6.445 16.124 -4.606 1.00 3.03 C ATOM 234 NZ LYS A 14 -7.568 16.184 -5.583 1.00 3.74 N ATOM 0 H LYS A 14 -4.164 10.460 -3.559 1.00 0.73 H new ATOM 0 HA LYS A 14 -4.117 12.846 -5.420 1.00 0.82 H new ATOM 0 HB2 LYS A 14 -5.627 12.441 -3.210 1.00 0.92 H new ATOM 0 HB3 LYS A 14 -4.134 12.819 -2.374 1.00 0.92 H new ATOM 0 HG2 LYS A 14 -5.026 14.975 -2.610 1.00 1.60 H new ATOM 0 HG3 LYS A 14 -4.051 14.888 -4.064 1.00 1.60 H new ATOM 0 HD2 LYS A 14 -6.037 14.148 -5.381 1.00 2.26 H new ATOM 0 HD3 LYS A 14 -7.021 14.153 -3.931 1.00 2.26 H new ATOM 0 HE2 LYS A 14 -6.715 16.601 -3.664 1.00 3.03 H new ATOM 0 HE3 LYS A 14 -5.564 16.643 -4.984 1.00 3.03 H new ATOM 0 HZ1 LYS A 14 -7.815 17.177 -5.767 1.00 3.74 H new ATOM 0 HZ2 LYS A 14 -7.279 15.729 -6.472 1.00 3.74 H new ATOM 0 HZ3 LYS A 14 -8.395 15.688 -5.193 1.00 3.74 H new ATOM 248 N HIS A 15 -1.723 11.625 -3.610 1.00 0.92 N ATOM 249 CA HIS A 15 -0.250 11.740 -3.388 1.00 1.13 C ATOM 250 C HIS A 15 0.507 11.345 -4.658 1.00 1.52 C ATOM 251 O HIS A 15 0.931 10.215 -4.810 1.00 1.83 O ATOM 252 CB HIS A 15 0.060 10.761 -2.254 1.00 1.07 C ATOM 253 CG HIS A 15 -0.641 11.202 -0.998 1.00 0.97 C ATOM 254 ND1 HIS A 15 0.014 11.294 0.219 1.00 1.03 N ATOM 255 CD2 HIS A 15 -1.940 11.578 -0.754 1.00 1.07 C ATOM 256 CE1 HIS A 15 -0.883 11.709 1.133 1.00 1.09 C ATOM 257 NE2 HIS A 15 -2.090 11.897 0.592 1.00 1.16 N ATOM 0 H HIS A 15 -2.151 10.778 -3.236 1.00 0.92 H new ATOM 0 HA HIS A 15 0.051 12.758 -3.140 1.00 1.13 H new ATOM 0 HB2 HIS A 15 -0.263 9.757 -2.529 1.00 1.07 H new ATOM 0 HB3 HIS A 15 1.136 10.715 -2.084 1.00 1.07 H new ATOM 0 HD2 HIS A 15 -2.725 11.620 -1.494 1.00 1.07 H new ATOM 0 HE1 HIS A 15 -0.655 11.870 2.176 1.00 1.09 H new ATOM 0 HE2 HIS A 15 -2.939 12.208 1.064 1.00 1.16 H new ATOM 266 N LYS A 16 0.712 12.280 -5.551 1.00 1.96 N ATOM 267 CA LYS A 16 1.483 11.978 -6.796 1.00 2.39 C ATOM 268 C LYS A 16 2.980 11.904 -6.485 1.00 2.69 C ATOM 269 O LYS A 16 3.561 10.835 -6.449 1.00 3.45 O ATOM 270 CB LYS A 16 1.189 13.145 -7.741 1.00 3.04 C ATOM 271 CG LYS A 16 -0.018 12.802 -8.617 1.00 3.63 C ATOM 272 CD LYS A 16 -0.825 14.072 -8.894 1.00 4.48 C ATOM 273 CE LYS A 16 -0.337 14.714 -10.195 1.00 5.13 C ATOM 274 NZ LYS A 16 0.628 15.764 -9.767 1.00 5.81 N ATOM 0 H LYS A 16 0.378 13.241 -5.472 1.00 1.96 H new ATOM 0 HA LYS A 16 1.201 11.020 -7.233 1.00 2.39 H new ATOM 0 HB2 LYS A 16 0.990 14.050 -7.167 1.00 3.04 H new ATOM 0 HB3 LYS A 16 2.059 13.349 -8.366 1.00 3.04 H new ATOM 0 HG2 LYS A 16 0.315 12.358 -9.555 1.00 3.63 H new ATOM 0 HG3 LYS A 16 -0.644 12.062 -8.118 1.00 3.63 H new ATOM 0 HD2 LYS A 16 -1.886 13.832 -8.970 1.00 4.48 H new ATOM 0 HD3 LYS A 16 -0.715 14.773 -8.067 1.00 4.48 H new ATOM 0 HE2 LYS A 16 0.141 13.979 -10.843 1.00 5.13 H new ATOM 0 HE3 LYS A 16 -1.165 15.145 -10.758 1.00 5.13 H new ATOM 0 HZ1 LYS A 16 0.955 16.295 -10.599 1.00 5.81 H new ATOM 0 HZ2 LYS A 16 0.161 16.415 -9.103 1.00 5.81 H new ATOM 0 HZ3 LYS A 16 1.442 15.317 -9.299 1.00 5.81 H new ATOM 288 N ASP A 17 3.595 13.028 -6.217 1.00 2.60 N ATOM 289 CA ASP A 17 5.044 13.028 -5.856 1.00 3.30 C ATOM 290 C ASP A 17 5.232 13.551 -4.429 1.00 2.92 C ATOM 291 O ASP A 17 5.637 12.822 -3.548 1.00 3.13 O ATOM 292 CB ASP A 17 5.704 13.969 -6.866 1.00 4.21 C ATOM 293 CG ASP A 17 7.216 13.986 -6.636 1.00 5.04 C ATOM 294 OD1 ASP A 17 7.877 13.072 -7.101 1.00 5.38 O ATOM 295 OD2 ASP A 17 7.688 14.913 -5.998 1.00 5.64 O ATOM 0 H ASP A 17 3.154 13.948 -6.233 1.00 2.60 H new ATOM 0 HA ASP A 17 5.479 12.029 -5.887 1.00 3.30 H new ATOM 0 HB2 ASP A 17 5.484 13.641 -7.882 1.00 4.21 H new ATOM 0 HB3 ASP A 17 5.298 14.975 -6.761 1.00 4.21 H new ATOM 300 N SER A 18 4.901 14.801 -4.199 1.00 2.92 N ATOM 301 CA SER A 18 5.000 15.404 -2.826 1.00 3.00 C ATOM 302 C SER A 18 6.341 15.055 -2.140 1.00 2.40 C ATOM 303 O SER A 18 7.323 15.751 -2.318 1.00 2.98 O ATOM 304 CB SER A 18 3.797 14.852 -2.050 1.00 3.74 C ATOM 305 OG SER A 18 3.925 13.445 -1.899 1.00 4.15 O ATOM 0 H SER A 18 4.560 15.441 -4.917 1.00 2.92 H new ATOM 0 HA SER A 18 4.981 16.493 -2.866 1.00 3.00 H new ATOM 0 HB2 SER A 18 3.735 15.328 -1.071 1.00 3.74 H new ATOM 0 HB3 SER A 18 2.873 15.088 -2.578 1.00 3.74 H new ATOM 0 HG SER A 18 3.155 13.098 -1.402 1.00 4.15 H new ATOM 311 N LYS A 19 6.403 13.974 -1.393 1.00 1.80 N ATOM 312 CA LYS A 19 7.690 13.579 -0.745 1.00 1.74 C ATOM 313 C LYS A 19 7.582 12.161 -0.176 1.00 1.46 C ATOM 314 O LYS A 19 8.490 11.362 -0.305 1.00 2.05 O ATOM 315 CB LYS A 19 7.897 14.594 0.380 1.00 2.19 C ATOM 316 CG LYS A 19 9.243 14.337 1.060 1.00 2.93 C ATOM 317 CD LYS A 19 10.314 15.226 0.425 1.00 3.53 C ATOM 318 CE LYS A 19 11.581 15.190 1.283 1.00 4.13 C ATOM 319 NZ LYS A 19 12.528 16.120 0.608 1.00 4.70 N ATOM 0 H LYS A 19 5.617 13.352 -1.207 1.00 1.80 H new ATOM 0 HA LYS A 19 8.522 13.577 -1.449 1.00 1.74 H new ATOM 0 HB2 LYS A 19 7.868 15.607 -0.021 1.00 2.19 H new ATOM 0 HB3 LYS A 19 7.089 14.516 1.108 1.00 2.19 H new ATOM 0 HG2 LYS A 19 9.169 14.545 2.127 1.00 2.93 H new ATOM 0 HG3 LYS A 19 9.519 13.288 0.958 1.00 2.93 H new ATOM 0 HD2 LYS A 19 10.536 14.881 -0.585 1.00 3.53 H new ATOM 0 HD3 LYS A 19 9.949 16.249 0.340 1.00 3.53 H new ATOM 0 HE2 LYS A 19 11.375 15.509 2.305 1.00 4.13 H new ATOM 0 HE3 LYS A 19 11.991 14.182 1.340 1.00 4.13 H new ATOM 0 HZ1 LYS A 19 13.422 16.150 1.138 1.00 4.70 H new ATOM 0 HZ2 LYS A 19 12.710 15.787 -0.360 1.00 4.70 H new ATOM 0 HZ3 LYS A 19 12.114 17.073 0.574 1.00 4.70 H new ATOM 333 N SER A 20 6.463 11.838 0.422 1.00 1.25 N ATOM 334 CA SER A 20 6.270 10.460 0.968 1.00 1.00 C ATOM 335 C SER A 20 5.869 9.497 -0.153 1.00 0.94 C ATOM 336 O SER A 20 5.881 9.849 -1.318 1.00 1.43 O ATOM 337 CB SER A 20 5.140 10.593 1.988 1.00 1.02 C ATOM 338 OG SER A 20 5.622 11.277 3.137 1.00 1.53 O ATOM 0 H SER A 20 5.674 12.470 0.556 1.00 1.25 H new ATOM 0 HA SER A 20 7.181 10.063 1.417 1.00 1.00 H new ATOM 0 HB2 SER A 20 4.303 11.137 1.551 1.00 1.02 H new ATOM 0 HB3 SER A 20 4.768 9.607 2.267 1.00 1.02 H new ATOM 0 HG SER A 20 4.899 11.365 3.793 1.00 1.53 H new ATOM 344 N THR A 21 5.475 8.299 0.197 1.00 0.53 N ATOM 345 CA THR A 21 5.023 7.320 -0.837 1.00 0.53 C ATOM 346 C THR A 21 3.877 6.461 -0.290 1.00 0.46 C ATOM 347 O THR A 21 3.988 5.866 0.766 1.00 0.50 O ATOM 348 CB THR A 21 6.254 6.457 -1.142 1.00 0.62 C ATOM 349 OG1 THR A 21 5.913 5.480 -2.116 1.00 0.75 O ATOM 350 CG2 THR A 21 6.738 5.758 0.133 1.00 0.64 C ATOM 0 H THR A 21 5.447 7.956 1.157 1.00 0.53 H new ATOM 0 HA THR A 21 4.646 7.813 -1.733 1.00 0.53 H new ATOM 0 HB THR A 21 7.052 7.095 -1.521 1.00 0.62 H new ATOM 0 HG1 THR A 21 6.698 4.928 -2.314 1.00 0.75 H new ATOM 0 HG21 THR A 21 7.612 5.148 -0.096 1.00 0.64 H new ATOM 0 HG22 THR A 21 7.003 6.506 0.880 1.00 0.64 H new ATOM 0 HG23 THR A 21 5.944 5.122 0.523 1.00 0.64 H new ATOM 358 N TRP A 22 2.796 6.364 -1.021 1.00 0.42 N ATOM 359 CA TRP A 22 1.657 5.509 -0.572 1.00 0.38 C ATOM 360 C TRP A 22 1.573 4.245 -1.433 1.00 0.40 C ATOM 361 O TRP A 22 0.732 4.134 -2.306 1.00 0.48 O ATOM 362 CB TRP A 22 0.410 6.376 -0.764 1.00 0.39 C ATOM 363 CG TRP A 22 0.185 7.224 0.452 1.00 0.38 C ATOM 364 CD1 TRP A 22 1.149 7.893 1.130 1.00 0.40 C ATOM 365 CD2 TRP A 22 -1.068 7.507 1.140 1.00 0.43 C ATOM 366 NE1 TRP A 22 0.567 8.564 2.190 1.00 0.44 N ATOM 367 CE2 TRP A 22 -0.797 8.358 2.238 1.00 0.46 C ATOM 368 CE3 TRP A 22 -2.399 7.111 0.921 1.00 0.50 C ATOM 369 CZ2 TRP A 22 -1.812 8.801 3.088 1.00 0.54 C ATOM 370 CZ3 TRP A 22 -3.423 7.555 1.775 1.00 0.58 C ATOM 371 CH2 TRP A 22 -3.129 8.398 2.856 1.00 0.60 C ATOM 0 H TRP A 22 2.653 6.841 -1.911 1.00 0.42 H new ATOM 0 HA TRP A 22 1.769 5.181 0.461 1.00 0.38 H new ATOM 0 HB2 TRP A 22 0.529 7.010 -1.643 1.00 0.39 H new ATOM 0 HB3 TRP A 22 -0.459 5.743 -0.943 1.00 0.39 H new ATOM 0 HD1 TRP A 22 2.200 7.901 0.883 1.00 0.40 H new ATOM 0 HE1 TRP A 22 1.083 9.141 2.855 1.00 0.44 H new ATOM 0 HE3 TRP A 22 -2.636 6.462 0.091 1.00 0.50 H new ATOM 0 HZ2 TRP A 22 -1.580 9.451 3.919 1.00 0.54 H new ATOM 0 HZ3 TRP A 22 -4.442 7.245 1.598 1.00 0.58 H new ATOM 0 HH2 TRP A 22 -3.920 8.736 3.509 1.00 0.60 H new ATOM 382 N VAL A 23 2.404 3.271 -1.155 1.00 0.37 N ATOM 383 CA VAL A 23 2.337 1.985 -1.913 1.00 0.41 C ATOM 384 C VAL A 23 1.200 1.120 -1.362 1.00 0.37 C ATOM 385 O VAL A 23 1.000 1.034 -0.165 1.00 0.59 O ATOM 386 CB VAL A 23 3.691 1.304 -1.680 1.00 0.45 C ATOM 387 CG1 VAL A 23 3.733 -0.030 -2.431 1.00 0.51 C ATOM 388 CG2 VAL A 23 4.819 2.203 -2.194 1.00 0.56 C ATOM 0 H VAL A 23 3.126 3.312 -0.435 1.00 0.37 H new ATOM 0 HA VAL A 23 2.144 2.140 -2.975 1.00 0.41 H new ATOM 0 HB VAL A 23 3.821 1.129 -0.612 1.00 0.45 H new ATOM 0 HG11 VAL A 23 4.696 -0.512 -2.264 1.00 0.51 H new ATOM 0 HG12 VAL A 23 2.935 -0.678 -2.067 1.00 0.51 H new ATOM 0 HG13 VAL A 23 3.597 0.149 -3.498 1.00 0.51 H new ATOM 0 HG21 VAL A 23 5.779 1.714 -2.026 1.00 0.56 H new ATOM 0 HG22 VAL A 23 4.684 2.382 -3.261 1.00 0.56 H new ATOM 0 HG23 VAL A 23 4.798 3.154 -1.662 1.00 0.56 H new ATOM 398 N ILE A 24 0.488 0.442 -2.225 1.00 0.40 N ATOM 399 CA ILE A 24 -0.600 -0.466 -1.754 1.00 0.44 C ATOM 400 C ILE A 24 -0.268 -1.912 -2.129 1.00 0.46 C ATOM 401 O ILE A 24 0.143 -2.194 -3.239 1.00 0.53 O ATOM 402 CB ILE A 24 -1.864 0.006 -2.479 1.00 0.55 C ATOM 403 CG1 ILE A 24 -2.145 1.471 -2.124 1.00 0.63 C ATOM 404 CG2 ILE A 24 -3.054 -0.855 -2.047 1.00 0.63 C ATOM 405 CD1 ILE A 24 -1.543 2.381 -3.197 1.00 1.08 C ATOM 0 H ILE A 24 0.613 0.478 -3.237 1.00 0.40 H new ATOM 0 HA ILE A 24 -0.726 -0.436 -0.672 1.00 0.44 H new ATOM 0 HB ILE A 24 -1.717 -0.087 -3.555 1.00 0.55 H new ATOM 0 HG12 ILE A 24 -3.220 1.639 -2.051 1.00 0.63 H new ATOM 0 HG13 ILE A 24 -1.718 1.708 -1.150 1.00 0.63 H new ATOM 0 HG21 ILE A 24 -3.953 -0.518 -2.563 1.00 0.63 H new ATOM 0 HG22 ILE A 24 -2.859 -1.897 -2.299 1.00 0.63 H new ATOM 0 HG23 ILE A 24 -3.198 -0.763 -0.970 1.00 0.63 H new ATOM 0 HD11 ILE A 24 -1.743 3.422 -2.945 1.00 1.08 H new ATOM 0 HD12 ILE A 24 -0.466 2.220 -3.248 1.00 1.08 H new ATOM 0 HD13 ILE A 24 -1.991 2.150 -4.163 1.00 1.08 H new ATOM 417 N LEU A 25 -0.488 -2.832 -1.226 1.00 0.50 N ATOM 418 CA LEU A 25 -0.237 -4.270 -1.540 1.00 0.60 C ATOM 419 C LEU A 25 -1.529 -4.927 -2.034 1.00 0.85 C ATOM 420 O LEU A 25 -1.721 -5.124 -3.219 1.00 1.62 O ATOM 421 CB LEU A 25 0.221 -4.892 -0.214 1.00 0.74 C ATOM 422 CG LEU A 25 1.756 -4.926 -0.136 1.00 0.78 C ATOM 423 CD1 LEU A 25 2.319 -5.781 -1.275 1.00 1.37 C ATOM 424 CD2 LEU A 25 2.315 -3.503 -0.240 1.00 1.17 C ATOM 0 H LEU A 25 -0.831 -2.649 -0.283 1.00 0.50 H new ATOM 0 HA LEU A 25 0.508 -4.404 -2.325 1.00 0.60 H new ATOM 0 HB2 LEU A 25 -0.179 -4.317 0.621 1.00 0.74 H new ATOM 0 HB3 LEU A 25 -0.176 -5.903 -0.124 1.00 0.74 H new ATOM 0 HG LEU A 25 2.051 -5.361 0.819 1.00 0.78 H new ATOM 0 HD11 LEU A 25 3.407 -5.800 -1.212 1.00 1.37 H new ATOM 0 HD12 LEU A 25 1.933 -6.797 -1.192 1.00 1.37 H new ATOM 0 HD13 LEU A 25 2.018 -5.356 -2.232 1.00 1.37 H new ATOM 0 HD21 LEU A 25 3.403 -3.535 -0.184 1.00 1.17 H new ATOM 0 HD22 LEU A 25 2.013 -3.062 -1.190 1.00 1.17 H new ATOM 0 HD23 LEU A 25 1.927 -2.899 0.580 1.00 1.17 H new ATOM 436 N HIS A 26 -2.448 -5.183 -1.140 1.00 1.23 N ATOM 437 CA HIS A 26 -3.774 -5.731 -1.551 1.00 1.47 C ATOM 438 C HIS A 26 -4.890 -4.900 -0.914 1.00 1.20 C ATOM 439 O HIS A 26 -5.819 -4.477 -1.575 1.00 1.95 O ATOM 440 CB HIS A 26 -3.797 -7.163 -1.016 1.00 1.92 C ATOM 441 CG HIS A 26 -2.902 -8.028 -1.859 1.00 2.24 C ATOM 442 ND1 HIS A 26 -3.398 -9.037 -2.669 1.00 2.96 N ATOM 443 CD2 HIS A 26 -1.539 -8.046 -2.030 1.00 2.44 C ATOM 444 CE1 HIS A 26 -2.350 -9.616 -3.284 1.00 3.68 C ATOM 445 NE2 HIS A 26 -1.194 -9.050 -2.930 1.00 3.38 N ATOM 0 H HIS A 26 -2.336 -5.035 -0.137 1.00 1.23 H new ATOM 0 HA HIS A 26 -3.923 -5.704 -2.630 1.00 1.47 H new ATOM 0 HB2 HIS A 26 -3.464 -7.180 0.022 1.00 1.92 H new ATOM 0 HB3 HIS A 26 -4.815 -7.552 -1.031 1.00 1.92 H new ATOM 0 HD1 HIS A 26 -4.379 -9.294 -2.779 1.00 2.96 H new ATOM 0 HD2 HIS A 26 -0.842 -7.382 -1.541 1.00 2.44 H new ATOM 0 HE1 HIS A 26 -2.434 -10.438 -3.979 1.00 3.68 H new ATOM 453 N HIS A 27 -4.760 -4.611 0.354 1.00 0.78 N ATOM 454 CA HIS A 27 -5.760 -3.742 1.042 1.00 0.50 C ATOM 455 C HIS A 27 -5.044 -2.722 1.936 1.00 0.48 C ATOM 456 O HIS A 27 -5.382 -1.554 1.950 1.00 0.86 O ATOM 457 CB HIS A 27 -6.603 -4.701 1.884 1.00 0.66 C ATOM 458 CG HIS A 27 -7.753 -3.956 2.508 1.00 0.71 C ATOM 459 ND1 HIS A 27 -8.504 -4.492 3.542 1.00 1.02 N ATOM 460 CD2 HIS A 27 -8.295 -2.720 2.254 1.00 0.82 C ATOM 461 CE1 HIS A 27 -9.447 -3.590 3.869 1.00 1.17 C ATOM 462 NE2 HIS A 27 -9.364 -2.491 3.115 1.00 1.07 N ATOM 0 H HIS A 27 -3.999 -4.942 0.947 1.00 0.78 H new ATOM 0 HA HIS A 27 -6.371 -3.174 0.340 1.00 0.50 H new ATOM 0 HB2 HIS A 27 -6.979 -5.512 1.261 1.00 0.66 H new ATOM 0 HB3 HIS A 27 -5.987 -5.155 2.661 1.00 0.66 H new ATOM 0 HD2 HIS A 27 -7.945 -2.030 1.500 1.00 0.82 H new ATOM 0 HE1 HIS A 27 -10.182 -3.737 4.647 1.00 1.17 H new ATOM 0 HE2 HIS A 27 -9.957 -1.662 3.160 1.00 1.07 H new ATOM 470 N LYS A 28 -4.035 -3.153 2.653 1.00 0.51 N ATOM 471 CA LYS A 28 -3.263 -2.209 3.518 1.00 0.43 C ATOM 472 C LYS A 28 -2.551 -1.154 2.664 1.00 0.38 C ATOM 473 O LYS A 28 -1.934 -1.465 1.660 1.00 0.50 O ATOM 474 CB LYS A 28 -2.240 -3.079 4.252 1.00 0.50 C ATOM 475 CG LYS A 28 -2.916 -3.777 5.433 1.00 0.70 C ATOM 476 CD LYS A 28 -2.005 -4.887 5.961 1.00 1.15 C ATOM 477 CE LYS A 28 -2.829 -5.874 6.792 1.00 1.49 C ATOM 478 NZ LYS A 28 -1.900 -7.001 7.082 1.00 1.87 N ATOM 0 H LYS A 28 -3.713 -4.120 2.676 1.00 0.51 H new ATOM 0 HA LYS A 28 -3.912 -1.671 4.209 1.00 0.43 H new ATOM 0 HB2 LYS A 28 -1.821 -3.819 3.570 1.00 0.50 H new ATOM 0 HB3 LYS A 28 -1.411 -2.465 4.605 1.00 0.50 H new ATOM 0 HG2 LYS A 28 -3.124 -3.056 6.224 1.00 0.70 H new ATOM 0 HG3 LYS A 28 -3.873 -4.195 5.122 1.00 0.70 H new ATOM 0 HD2 LYS A 28 -1.527 -5.406 5.130 1.00 1.15 H new ATOM 0 HD3 LYS A 28 -1.209 -4.459 6.570 1.00 1.15 H new ATOM 0 HE2 LYS A 28 -3.189 -5.412 7.711 1.00 1.49 H new ATOM 0 HE3 LYS A 28 -3.706 -6.217 6.243 1.00 1.49 H new ATOM 0 HZ1 LYS A 28 -2.393 -7.720 7.649 1.00 1.87 H new ATOM 0 HZ2 LYS A 28 -1.579 -7.425 6.188 1.00 1.87 H new ATOM 0 HZ3 LYS A 28 -1.078 -6.646 7.611 1.00 1.87 H new ATOM 492 N VAL A 29 -2.575 0.080 3.101 1.00 0.30 N ATOM 493 CA VAL A 29 -1.839 1.159 2.376 1.00 0.32 C ATOM 494 C VAL A 29 -0.512 1.439 3.088 1.00 0.30 C ATOM 495 O VAL A 29 -0.481 1.690 4.278 1.00 0.33 O ATOM 496 CB VAL A 29 -2.761 2.382 2.446 1.00 0.34 C ATOM 497 CG1 VAL A 29 -2.104 3.568 1.735 1.00 0.40 C ATOM 498 CG2 VAL A 29 -4.094 2.059 1.765 1.00 0.36 C ATOM 0 H VAL A 29 -3.076 0.388 3.934 1.00 0.30 H new ATOM 0 HA VAL A 29 -1.603 0.892 1.346 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.936 2.638 3.491 1.00 0.34 H new ATOM 0 HG11 VAL A 29 -2.763 4.434 1.788 1.00 0.40 H new ATOM 0 HG12 VAL A 29 -1.156 3.803 2.219 1.00 0.40 H new ATOM 0 HG13 VAL A 29 -1.924 3.312 0.691 1.00 0.40 H new ATOM 0 HG21 VAL A 29 -4.749 2.929 1.815 1.00 0.36 H new ATOM 0 HG22 VAL A 29 -3.916 1.799 0.722 1.00 0.36 H new ATOM 0 HG23 VAL A 29 -4.568 1.219 2.273 1.00 0.36 H new ATOM 508 N TYR A 30 0.583 1.390 2.371 1.00 0.31 N ATOM 509 CA TYR A 30 1.910 1.643 3.010 1.00 0.31 C ATOM 510 C TYR A 30 2.337 3.102 2.825 1.00 0.32 C ATOM 511 O TYR A 30 2.544 3.557 1.716 1.00 0.39 O ATOM 512 CB TYR A 30 2.888 0.723 2.280 1.00 0.35 C ATOM 513 CG TYR A 30 2.643 -0.711 2.677 1.00 0.36 C ATOM 514 CD1 TYR A 30 1.518 -1.389 2.196 1.00 1.25 C ATOM 515 CD2 TYR A 30 3.548 -1.364 3.520 1.00 1.20 C ATOM 516 CE1 TYR A 30 1.297 -2.721 2.561 1.00 1.28 C ATOM 517 CE2 TYR A 30 3.329 -2.696 3.884 1.00 1.21 C ATOM 518 CZ TYR A 30 2.203 -3.376 3.404 1.00 0.48 C ATOM 519 OH TYR A 30 1.986 -4.691 3.763 1.00 0.57 O ATOM 0 H TYR A 30 0.615 1.186 1.372 1.00 0.31 H new ATOM 0 HA TYR A 30 1.878 1.453 4.083 1.00 0.31 H new ATOM 0 HB2 TYR A 30 2.770 0.836 1.202 1.00 0.35 H new ATOM 0 HB3 TYR A 30 3.913 1.005 2.520 1.00 0.35 H new ATOM 0 HD1 TYR A 30 0.821 -0.884 1.543 1.00 1.25 H new ATOM 0 HD2 TYR A 30 4.416 -0.839 3.890 1.00 1.20 H new ATOM 0 HE1 TYR A 30 0.427 -3.244 2.192 1.00 1.28 H new ATOM 0 HE2 TYR A 30 4.028 -3.200 4.535 1.00 1.21 H new ATOM 0 HH TYR A 30 2.710 -4.993 4.351 1.00 0.57 H new ATOM 529 N ASP A 31 2.627 3.779 3.906 1.00 0.31 N ATOM 530 CA ASP A 31 3.227 5.143 3.803 1.00 0.33 C ATOM 531 C ASP A 31 4.727 5.045 4.080 1.00 0.33 C ATOM 532 O ASP A 31 5.188 5.342 5.166 1.00 0.35 O ATOM 533 CB ASP A 31 2.530 5.975 4.879 1.00 0.37 C ATOM 534 CG ASP A 31 2.919 7.446 4.720 1.00 0.50 C ATOM 535 OD1 ASP A 31 2.868 7.935 3.604 1.00 1.25 O ATOM 536 OD2 ASP A 31 3.262 8.059 5.718 1.00 0.97 O ATOM 0 H ASP A 31 2.474 3.445 4.858 1.00 0.31 H new ATOM 0 HA ASP A 31 3.099 5.590 2.817 1.00 0.33 H new ATOM 0 HB2 ASP A 31 1.449 5.863 4.797 1.00 0.37 H new ATOM 0 HB3 ASP A 31 2.813 5.618 5.869 1.00 0.37 H new ATOM 541 N LEU A 32 5.472 4.540 3.133 1.00 0.37 N ATOM 542 CA LEU A 32 6.935 4.309 3.360 1.00 0.42 C ATOM 543 C LEU A 32 7.725 5.579 3.027 1.00 0.41 C ATOM 544 O LEU A 32 8.681 5.545 2.274 1.00 0.40 O ATOM 545 CB LEU A 32 7.345 3.159 2.413 1.00 0.50 C ATOM 546 CG LEU A 32 6.270 2.051 2.381 1.00 0.46 C ATOM 547 CD1 LEU A 32 5.531 2.094 1.040 1.00 0.49 C ATOM 548 CD2 LEU A 32 6.925 0.676 2.552 1.00 0.43 C ATOM 0 H LEU A 32 5.132 4.276 2.208 1.00 0.37 H new ATOM 0 HA LEU A 32 7.142 4.056 4.400 1.00 0.42 H new ATOM 0 HB2 LEU A 32 7.498 3.550 1.407 1.00 0.50 H new ATOM 0 HB3 LEU A 32 8.296 2.737 2.739 1.00 0.50 H new ATOM 0 HG LEU A 32 5.566 2.217 3.197 1.00 0.46 H new ATOM 0 HD11 LEU A 32 4.772 1.312 1.017 1.00 0.49 H new ATOM 0 HD12 LEU A 32 5.054 3.066 0.919 1.00 0.49 H new ATOM 0 HD13 LEU A 32 6.241 1.934 0.228 1.00 0.49 H new ATOM 0 HD21 LEU A 32 6.158 -0.098 2.528 1.00 0.43 H new ATOM 0 HD22 LEU A 32 7.635 0.508 1.742 1.00 0.43 H new ATOM 0 HD23 LEU A 32 7.448 0.639 3.507 1.00 0.43 H new ATOM 560 N THR A 33 7.357 6.690 3.616 1.00 0.52 N ATOM 561 CA THR A 33 8.112 7.958 3.371 1.00 0.54 C ATOM 562 C THR A 33 9.524 7.865 3.964 1.00 0.48 C ATOM 563 O THR A 33 10.443 8.511 3.495 1.00 0.55 O ATOM 564 CB THR A 33 7.300 9.060 4.065 1.00 0.71 C ATOM 565 OG1 THR A 33 7.964 10.306 3.899 1.00 1.53 O ATOM 566 CG2 THR A 33 7.157 8.754 5.559 1.00 1.09 C ATOM 0 H THR A 33 6.567 6.774 4.256 1.00 0.52 H new ATOM 0 HA THR A 33 8.232 8.160 2.307 1.00 0.54 H new ATOM 0 HB THR A 33 6.307 9.105 3.618 1.00 0.71 H new ATOM 0 HG1 THR A 33 7.344 10.958 3.511 1.00 1.53 H new ATOM 0 HG21 THR A 33 6.579 9.544 6.038 1.00 1.09 H new ATOM 0 HG22 THR A 33 6.645 7.800 5.688 1.00 1.09 H new ATOM 0 HG23 THR A 33 8.145 8.700 6.015 1.00 1.09 H new ATOM 574 N LYS A 34 9.712 7.029 4.956 1.00 0.48 N ATOM 575 CA LYS A 34 11.074 6.849 5.541 1.00 0.52 C ATOM 576 C LYS A 34 11.885 5.865 4.693 1.00 0.44 C ATOM 577 O LYS A 34 13.092 5.973 4.587 1.00 0.52 O ATOM 578 CB LYS A 34 10.832 6.280 6.940 1.00 0.66 C ATOM 579 CG LYS A 34 12.163 6.184 7.689 1.00 1.18 C ATOM 580 CD LYS A 34 11.896 6.044 9.189 1.00 1.52 C ATOM 581 CE LYS A 34 13.002 6.753 9.974 1.00 2.02 C ATOM 582 NZ LYS A 34 12.509 6.796 11.379 1.00 2.60 N ATOM 0 H LYS A 34 8.979 6.464 5.385 1.00 0.48 H new ATOM 0 HA LYS A 34 11.638 7.781 5.573 1.00 0.52 H new ATOM 0 HB2 LYS A 34 10.139 6.918 7.489 1.00 0.66 H new ATOM 0 HB3 LYS A 34 10.371 5.295 6.869 1.00 0.66 H new ATOM 0 HG2 LYS A 34 12.734 5.328 7.329 1.00 1.18 H new ATOM 0 HG3 LYS A 34 12.765 7.072 7.497 1.00 1.18 H new ATOM 0 HD2 LYS A 34 10.926 6.474 9.438 1.00 1.52 H new ATOM 0 HD3 LYS A 34 11.858 4.990 9.465 1.00 1.52 H new ATOM 0 HE2 LYS A 34 13.946 6.212 9.903 1.00 2.02 H new ATOM 0 HE3 LYS A 34 13.180 7.756 9.587 1.00 2.02 H new ATOM 0 HZ1 LYS A 34 13.214 7.269 11.980 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 11.613 7.323 11.417 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 12.355 5.827 11.723 1.00 2.60 H new ATOM 596 N PHE A 35 11.220 4.941 4.047 1.00 0.37 N ATOM 597 CA PHE A 35 11.936 3.982 3.151 1.00 0.42 C ATOM 598 C PHE A 35 12.387 4.695 1.874 1.00 0.43 C ATOM 599 O PHE A 35 13.428 4.396 1.320 1.00 0.59 O ATOM 600 CB PHE A 35 10.907 2.899 2.822 1.00 0.48 C ATOM 601 CG PHE A 35 11.562 1.807 2.012 1.00 0.60 C ATOM 602 CD1 PHE A 35 11.829 2.010 0.653 1.00 1.26 C ATOM 603 CD2 PHE A 35 11.899 0.591 2.618 1.00 1.50 C ATOM 604 CE1 PHE A 35 12.435 0.997 -0.100 1.00 1.39 C ATOM 605 CE2 PHE A 35 12.505 -0.422 1.865 1.00 1.60 C ATOM 606 CZ PHE A 35 12.773 -0.219 0.505 1.00 1.01 C ATOM 0 H PHE A 35 10.210 4.809 4.101 1.00 0.37 H new ATOM 0 HA PHE A 35 12.828 3.566 3.620 1.00 0.42 H new ATOM 0 HB2 PHE A 35 10.493 2.485 3.742 1.00 0.48 H new ATOM 0 HB3 PHE A 35 10.076 3.330 2.264 1.00 0.48 H new ATOM 0 HD1 PHE A 35 11.568 2.948 0.185 1.00 1.26 H new ATOM 0 HD2 PHE A 35 11.692 0.434 3.666 1.00 1.50 H new ATOM 0 HE1 PHE A 35 12.642 1.154 -1.148 1.00 1.39 H new ATOM 0 HE2 PHE A 35 12.766 -1.360 2.333 1.00 1.60 H new ATOM 0 HZ PHE A 35 13.240 -1.000 -0.076 1.00 1.01 H new ATOM 616 N LEU A 36 11.627 5.663 1.428 1.00 0.44 N ATOM 617 CA LEU A 36 12.024 6.437 0.211 1.00 0.57 C ATOM 618 C LEU A 36 13.365 7.139 0.444 1.00 0.60 C ATOM 619 O LEU A 36 14.135 7.343 -0.476 1.00 0.76 O ATOM 620 CB LEU A 36 10.910 7.467 0.008 1.00 0.66 C ATOM 621 CG LEU A 36 10.631 7.635 -1.487 1.00 0.84 C ATOM 622 CD1 LEU A 36 9.323 8.403 -1.678 1.00 1.00 C ATOM 623 CD2 LEU A 36 11.779 8.414 -2.134 1.00 1.13 C ATOM 0 H LEU A 36 10.747 5.952 1.855 1.00 0.44 H new ATOM 0 HA LEU A 36 12.147 5.795 -0.661 1.00 0.57 H new ATOM 0 HB2 LEU A 36 10.005 7.145 0.523 1.00 0.66 H new ATOM 0 HB3 LEU A 36 11.201 8.423 0.443 1.00 0.66 H new ATOM 0 HG LEU A 36 10.548 6.654 -1.954 1.00 0.84 H new ATOM 0 HD11 LEU A 36 9.124 8.523 -2.743 1.00 1.00 H new ATOM 0 HD12 LEU A 36 8.505 7.850 -1.216 1.00 1.00 H new ATOM 0 HD13 LEU A 36 9.406 9.385 -1.212 1.00 1.00 H new ATOM 0 HD21 LEU A 36 11.582 8.535 -3.199 1.00 1.13 H new ATOM 0 HD22 LEU A 36 11.862 9.395 -1.667 1.00 1.13 H new ATOM 0 HD23 LEU A 36 12.712 7.867 -1.997 1.00 1.13 H new ATOM 635 N GLU A 37 13.660 7.476 1.674 1.00 0.52 N ATOM 636 CA GLU A 37 14.967 8.129 1.985 1.00 0.63 C ATOM 637 C GLU A 37 15.959 7.101 2.538 1.00 0.70 C ATOM 638 O GLU A 37 17.159 7.248 2.394 1.00 0.96 O ATOM 639 CB GLU A 37 14.639 9.182 3.045 1.00 0.68 C ATOM 640 CG GLU A 37 15.720 10.264 3.041 1.00 1.45 C ATOM 641 CD GLU A 37 15.201 11.507 3.766 1.00 1.94 C ATOM 642 OE1 GLU A 37 14.313 12.151 3.233 1.00 2.36 O ATOM 643 OE2 GLU A 37 15.701 11.794 4.841 1.00 2.58 O ATOM 0 H GLU A 37 13.050 7.326 2.478 1.00 0.52 H new ATOM 0 HA GLU A 37 15.429 8.568 1.101 1.00 0.63 H new ATOM 0 HB2 GLU A 37 13.664 9.626 2.842 1.00 0.68 H new ATOM 0 HB3 GLU A 37 14.579 8.717 4.029 1.00 0.68 H new ATOM 0 HG2 GLU A 37 16.621 9.894 3.530 1.00 1.45 H new ATOM 0 HG3 GLU A 37 15.994 10.515 2.016 1.00 1.45 H new ATOM 650 N GLU A 38 15.467 6.048 3.143 1.00 0.76 N ATOM 651 CA GLU A 38 16.377 4.990 3.676 1.00 0.96 C ATOM 652 C GLU A 38 16.834 4.065 2.544 1.00 1.13 C ATOM 653 O GLU A 38 17.925 3.527 2.576 1.00 1.38 O ATOM 654 CB GLU A 38 15.537 4.217 4.694 1.00 1.03 C ATOM 655 CG GLU A 38 16.442 3.284 5.501 1.00 1.45 C ATOM 656 CD GLU A 38 15.597 2.487 6.496 1.00 2.04 C ATOM 657 OE1 GLU A 38 14.749 3.086 7.136 1.00 2.78 O ATOM 658 OE2 GLU A 38 15.814 1.291 6.602 1.00 2.46 O ATOM 0 H GLU A 38 14.472 5.876 3.290 1.00 0.76 H new ATOM 0 HA GLU A 38 17.277 5.410 4.126 1.00 0.96 H new ATOM 0 HB2 GLU A 38 15.026 4.911 5.361 1.00 1.03 H new ATOM 0 HB3 GLU A 38 14.766 3.640 4.182 1.00 1.03 H new ATOM 0 HG2 GLU A 38 16.971 2.605 4.832 1.00 1.45 H new ATOM 0 HG3 GLU A 38 17.198 3.863 6.032 1.00 1.45 H new ATOM 665 N HIS A 39 16.024 3.912 1.527 1.00 1.13 N ATOM 666 CA HIS A 39 16.424 3.063 0.365 1.00 1.41 C ATOM 667 C HIS A 39 16.584 3.929 -0.895 1.00 1.51 C ATOM 668 O HIS A 39 15.634 4.121 -1.628 1.00 1.61 O ATOM 669 CB HIS A 39 15.279 2.066 0.190 1.00 1.50 C ATOM 670 CG HIS A 39 15.494 0.889 1.101 1.00 1.52 C ATOM 671 ND1 HIS A 39 15.044 0.877 2.411 1.00 1.42 N ATOM 672 CD2 HIS A 39 16.109 -0.323 0.904 1.00 2.00 C ATOM 673 CE1 HIS A 39 15.390 -0.307 2.948 1.00 1.52 C ATOM 674 NE2 HIS A 39 16.042 -1.077 2.072 1.00 1.92 N ATOM 0 H HIS A 39 15.101 4.340 1.452 1.00 1.13 H new ATOM 0 HA HIS A 39 17.378 2.562 0.528 1.00 1.41 H new ATOM 0 HB2 HIS A 39 14.327 2.546 0.417 1.00 1.50 H new ATOM 0 HB3 HIS A 39 15.228 1.733 -0.846 1.00 1.50 H new ATOM 0 HD1 HIS A 39 14.542 1.629 2.883 1.00 1.42 H new ATOM 0 HD2 HIS A 39 16.574 -0.642 -0.017 1.00 2.00 H new ATOM 0 HE1 HIS A 39 15.168 -0.600 3.964 1.00 1.52 H new ATOM 682 N PRO A 40 17.785 4.430 -1.115 1.00 1.82 N ATOM 683 CA PRO A 40 18.048 5.284 -2.309 1.00 2.01 C ATOM 684 C PRO A 40 17.600 4.581 -3.597 1.00 2.23 C ATOM 685 O PRO A 40 18.358 3.857 -4.215 1.00 2.83 O ATOM 686 CB PRO A 40 19.565 5.462 -2.297 1.00 2.57 C ATOM 687 CG PRO A 40 19.965 5.257 -0.872 1.00 2.72 C ATOM 688 CD PRO A 40 18.996 4.263 -0.292 1.00 2.28 C ATOM 0 HA PRO A 40 17.506 6.229 -2.277 1.00 2.01 H new ATOM 0 HB2 PRO A 40 20.053 4.740 -2.952 1.00 2.57 H new ATOM 0 HB3 PRO A 40 19.849 6.454 -2.648 1.00 2.57 H new ATOM 0 HG2 PRO A 40 20.987 4.885 -0.806 1.00 2.72 H new ATOM 0 HG3 PRO A 40 19.932 6.197 -0.321 1.00 2.72 H new ATOM 0 HD2 PRO A 40 19.383 3.246 -0.352 1.00 2.28 H new ATOM 0 HD3 PRO A 40 18.796 4.467 0.760 1.00 2.28 H new ATOM 696 N GLY A 41 16.386 4.823 -4.022 1.00 2.21 N ATOM 697 CA GLY A 41 15.894 4.210 -5.291 1.00 2.74 C ATOM 698 C GLY A 41 15.383 5.308 -6.226 1.00 2.77 C ATOM 699 O GLY A 41 15.908 5.509 -7.305 1.00 3.34 O ATOM 0 H GLY A 41 15.713 5.421 -3.543 1.00 2.21 H new ATOM 0 HA2 GLY A 41 16.697 3.653 -5.773 1.00 2.74 H new ATOM 0 HA3 GLY A 41 15.096 3.499 -5.078 1.00 2.74 H new ATOM 703 N GLY A 42 14.387 6.044 -5.801 1.00 2.61 N ATOM 704 CA GLY A 42 13.864 7.163 -6.639 1.00 2.96 C ATOM 705 C GLY A 42 12.429 7.488 -6.221 1.00 2.84 C ATOM 706 O GLY A 42 12.198 8.313 -5.358 1.00 3.36 O ATOM 0 H GLY A 42 13.913 5.917 -4.907 1.00 2.61 H new ATOM 0 HA2 GLY A 42 14.496 8.044 -6.523 1.00 2.96 H new ATOM 0 HA3 GLY A 42 13.893 6.886 -7.693 1.00 2.96 H new ATOM 710 N GLU A 43 11.468 6.816 -6.802 1.00 2.84 N ATOM 711 CA GLU A 43 10.044 7.048 -6.415 1.00 3.35 C ATOM 712 C GLU A 43 9.334 5.711 -6.185 1.00 3.21 C ATOM 713 O GLU A 43 8.873 5.424 -5.096 1.00 3.39 O ATOM 714 CB GLU A 43 9.426 7.786 -7.604 1.00 3.98 C ATOM 715 CG GLU A 43 8.429 8.829 -7.096 1.00 4.58 C ATOM 716 CD GLU A 43 8.425 10.033 -8.039 1.00 5.19 C ATOM 717 OE1 GLU A 43 9.451 10.685 -8.141 1.00 5.72 O ATOM 718 OE2 GLU A 43 7.395 10.283 -8.644 1.00 5.39 O ATOM 0 H GLU A 43 11.609 6.115 -7.529 1.00 2.84 H new ATOM 0 HA GLU A 43 9.955 7.618 -5.490 1.00 3.35 H new ATOM 0 HB2 GLU A 43 10.207 8.270 -8.191 1.00 3.98 H new ATOM 0 HB3 GLU A 43 8.924 7.078 -8.263 1.00 3.98 H new ATOM 0 HG2 GLU A 43 7.431 8.395 -7.039 1.00 4.58 H new ATOM 0 HG3 GLU A 43 8.698 9.144 -6.088 1.00 4.58 H new ATOM 725 N GLU A 44 9.287 4.875 -7.191 1.00 3.27 N ATOM 726 CA GLU A 44 8.659 3.531 -7.029 1.00 3.35 C ATOM 727 C GLU A 44 9.740 2.468 -6.822 1.00 2.54 C ATOM 728 O GLU A 44 10.489 2.150 -7.727 1.00 2.77 O ATOM 729 CB GLU A 44 7.906 3.284 -8.336 1.00 4.22 C ATOM 730 CG GLU A 44 6.782 4.312 -8.481 1.00 4.65 C ATOM 731 CD GLU A 44 6.596 4.663 -9.958 1.00 5.66 C ATOM 732 OE1 GLU A 44 7.427 5.385 -10.484 1.00 6.00 O ATOM 733 OE2 GLU A 44 5.627 4.202 -10.539 1.00 6.34 O ATOM 0 H GLU A 44 9.659 5.068 -8.121 1.00 3.27 H new ATOM 0 HA GLU A 44 7.997 3.485 -6.165 1.00 3.35 H new ATOM 0 HB2 GLU A 44 8.590 3.356 -9.181 1.00 4.22 H new ATOM 0 HB3 GLU A 44 7.494 2.275 -8.345 1.00 4.22 H new ATOM 0 HG2 GLU A 44 5.854 3.912 -8.072 1.00 4.65 H new ATOM 0 HG3 GLU A 44 7.021 5.210 -7.911 1.00 4.65 H new ATOM 740 N VAL A 45 9.808 1.900 -5.645 1.00 1.96 N ATOM 741 CA VAL A 45 10.821 0.832 -5.380 1.00 1.51 C ATOM 742 C VAL A 45 10.157 -0.407 -4.766 1.00 1.14 C ATOM 743 O VAL A 45 10.504 -1.526 -5.093 1.00 1.68 O ATOM 744 CB VAL A 45 11.824 1.455 -4.401 1.00 1.69 C ATOM 745 CG1 VAL A 45 12.486 2.669 -5.054 1.00 2.37 C ATOM 746 CG2 VAL A 45 11.107 1.898 -3.120 1.00 1.73 C ATOM 0 H VAL A 45 9.205 2.129 -4.855 1.00 1.96 H new ATOM 0 HA VAL A 45 11.307 0.499 -6.297 1.00 1.51 H new ATOM 0 HB VAL A 45 12.580 0.712 -4.148 1.00 1.69 H new ATOM 0 HG11 VAL A 45 13.199 3.112 -4.359 1.00 2.37 H new ATOM 0 HG12 VAL A 45 13.008 2.356 -5.959 1.00 2.37 H new ATOM 0 HG13 VAL A 45 11.724 3.405 -5.311 1.00 2.37 H new ATOM 0 HG21 VAL A 45 11.829 2.339 -2.433 1.00 1.73 H new ATOM 0 HG22 VAL A 45 10.344 2.636 -3.367 1.00 1.73 H new ATOM 0 HG23 VAL A 45 10.638 1.035 -2.649 1.00 1.73 H new ATOM 756 N LEU A 46 9.201 -0.217 -3.890 1.00 1.10 N ATOM 757 CA LEU A 46 8.508 -1.387 -3.266 1.00 1.15 C ATOM 758 C LEU A 46 7.841 -2.252 -4.340 1.00 1.92 C ATOM 759 O LEU A 46 6.790 -1.921 -4.853 1.00 2.40 O ATOM 760 CB LEU A 46 7.454 -0.787 -2.331 1.00 1.04 C ATOM 761 CG LEU A 46 7.983 -0.786 -0.888 1.00 0.98 C ATOM 762 CD1 LEU A 46 8.408 0.631 -0.495 1.00 0.87 C ATOM 763 CD2 LEU A 46 6.883 -1.269 0.062 1.00 1.62 C ATOM 0 H LEU A 46 8.871 0.697 -3.580 1.00 1.10 H new ATOM 0 HA LEU A 46 9.206 -2.030 -2.730 1.00 1.15 H new ATOM 0 HB2 LEU A 46 7.215 0.230 -2.642 1.00 1.04 H new ATOM 0 HB3 LEU A 46 6.531 -1.364 -2.390 1.00 1.04 H new ATOM 0 HG LEU A 46 8.842 -1.453 -0.820 1.00 0.98 H new ATOM 0 HD11 LEU A 46 8.782 0.628 0.529 1.00 0.87 H new ATOM 0 HD12 LEU A 46 9.194 0.975 -1.168 1.00 0.87 H new ATOM 0 HD13 LEU A 46 7.551 1.301 -0.566 1.00 0.87 H new ATOM 0 HD21 LEU A 46 7.259 -1.268 1.085 1.00 1.62 H new ATOM 0 HD22 LEU A 46 6.023 -0.603 -0.009 1.00 1.62 H new ATOM 0 HD23 LEU A 46 6.583 -2.280 -0.213 1.00 1.62 H new ATOM 775 N ARG A 47 8.419 -3.392 -4.636 1.00 2.53 N ATOM 776 CA ARG A 47 7.801 -4.338 -5.624 1.00 3.36 C ATOM 777 C ARG A 47 7.476 -3.624 -6.942 1.00 3.31 C ATOM 778 O ARG A 47 6.514 -3.951 -7.607 1.00 4.00 O ATOM 779 CB ARG A 47 6.518 -4.840 -4.956 1.00 4.20 C ATOM 780 CG ARG A 47 6.116 -6.186 -5.565 1.00 5.03 C ATOM 781 CD ARG A 47 4.591 -6.284 -5.632 1.00 5.85 C ATOM 782 NE ARG A 47 4.316 -7.297 -6.696 1.00 6.68 N ATOM 783 CZ ARG A 47 4.403 -6.991 -7.976 1.00 7.50 C ATOM 784 NH1 ARG A 47 4.776 -5.797 -8.374 1.00 7.69 N ATOM 785 NH2 ARG A 47 4.112 -7.898 -8.868 1.00 8.38 N ATOM 0 H ARG A 47 9.300 -3.711 -4.233 1.00 2.53 H new ATOM 0 HA ARG A 47 8.479 -5.154 -5.874 1.00 3.36 H new ATOM 0 HB2 ARG A 47 6.673 -4.947 -3.882 1.00 4.20 H new ATOM 0 HB3 ARG A 47 5.717 -4.114 -5.092 1.00 4.20 H new ATOM 0 HG2 ARG A 47 6.541 -6.286 -6.564 1.00 5.03 H new ATOM 0 HG3 ARG A 47 6.517 -7.003 -4.964 1.00 5.03 H new ATOM 0 HD2 ARG A 47 4.173 -6.594 -4.674 1.00 5.85 H new ATOM 0 HD3 ARG A 47 4.144 -5.321 -5.879 1.00 5.85 H new ATOM 0 HE ARG A 47 4.055 -8.246 -6.426 1.00 6.68 H new ATOM 0 HH11 ARG A 47 5.007 -5.079 -7.687 1.00 7.69 H new ATOM 0 HH12 ARG A 47 4.835 -5.587 -9.370 1.00 7.69 H new ATOM 0 HH21 ARG A 47 3.822 -8.830 -8.572 1.00 8.38 H new ATOM 0 HH22 ARG A 47 4.175 -7.675 -9.861 1.00 8.38 H new ATOM 799 N GLU A 48 8.307 -2.687 -7.346 1.00 2.92 N ATOM 800 CA GLU A 48 8.106 -1.965 -8.654 1.00 3.38 C ATOM 801 C GLU A 48 6.843 -1.093 -8.609 1.00 3.26 C ATOM 802 O GLU A 48 6.917 0.118 -8.697 1.00 3.66 O ATOM 803 CB GLU A 48 7.979 -3.046 -9.739 1.00 3.96 C ATOM 804 CG GLU A 48 8.303 -2.439 -11.105 1.00 4.49 C ATOM 805 CD GLU A 48 7.896 -3.417 -12.208 1.00 5.32 C ATOM 806 OE1 GLU A 48 8.254 -4.579 -12.104 1.00 5.89 O ATOM 807 OE2 GLU A 48 7.234 -2.989 -13.139 1.00 5.68 O ATOM 0 H GLU A 48 9.127 -2.386 -6.820 1.00 2.92 H new ATOM 0 HA GLU A 48 8.943 -1.299 -8.861 1.00 3.38 H new ATOM 0 HB2 GLU A 48 8.658 -3.872 -9.526 1.00 3.96 H new ATOM 0 HB3 GLU A 48 6.969 -3.456 -9.742 1.00 3.96 H new ATOM 0 HG2 GLU A 48 7.774 -1.494 -11.229 1.00 4.49 H new ATOM 0 HG3 GLU A 48 9.369 -2.220 -11.174 1.00 4.49 H new ATOM 814 N GLN A 49 5.688 -1.695 -8.451 1.00 3.29 N ATOM 815 CA GLN A 49 4.411 -0.908 -8.374 1.00 3.61 C ATOM 816 C GLN A 49 4.266 0.005 -9.597 1.00 4.01 C ATOM 817 O GLN A 49 4.524 1.192 -9.530 1.00 4.55 O ATOM 818 CB GLN A 49 4.511 -0.076 -7.089 1.00 3.97 C ATOM 819 CG GLN A 49 3.809 -0.813 -5.946 1.00 3.71 C ATOM 820 CD GLN A 49 2.316 -0.482 -5.966 1.00 3.35 C ATOM 821 OE1 GLN A 49 1.491 -1.356 -6.145 1.00 3.52 O ATOM 822 NE2 GLN A 49 1.930 0.752 -5.788 1.00 3.41 N ATOM 0 H GLN A 49 5.572 -2.705 -8.371 1.00 3.29 H new ATOM 0 HA GLN A 49 3.538 -1.561 -8.362 1.00 3.61 H new ATOM 0 HB2 GLN A 49 5.557 0.097 -6.836 1.00 3.97 H new ATOM 0 HB3 GLN A 49 4.054 0.902 -7.240 1.00 3.97 H new ATOM 0 HG2 GLN A 49 3.955 -1.888 -6.048 1.00 3.71 H new ATOM 0 HG3 GLN A 49 4.244 -0.522 -4.990 1.00 3.71 H new ATOM 0 HE21 GLN A 49 2.622 1.486 -5.638 1.00 3.41 H new ATOM 0 HE22 GLN A 49 0.936 0.982 -5.799 1.00 3.41 H new ATOM 831 N ALA A 50 3.816 -0.538 -10.699 1.00 4.11 N ATOM 832 CA ALA A 50 3.604 0.294 -11.921 1.00 4.65 C ATOM 833 C ALA A 50 2.793 -0.489 -12.958 1.00 4.34 C ATOM 834 O ALA A 50 1.889 0.040 -13.577 1.00 4.40 O ATOM 835 CB ALA A 50 5.009 0.586 -12.448 1.00 5.25 C ATOM 0 H ALA A 50 3.585 -1.526 -10.805 1.00 4.11 H new ATOM 0 HA ALA A 50 3.050 1.208 -11.709 1.00 4.65 H new ATOM 0 HB1 ALA A 50 4.940 1.196 -13.349 1.00 5.25 H new ATOM 0 HB2 ALA A 50 5.578 1.123 -11.689 1.00 5.25 H new ATOM 0 HB3 ALA A 50 5.512 -0.352 -12.682 1.00 5.25 H new ATOM 841 N GLY A 51 3.085 -1.755 -13.118 1.00 4.41 N ATOM 842 CA GLY A 51 2.307 -2.593 -14.077 1.00 4.45 C ATOM 843 C GLY A 51 2.520 -4.073 -13.752 1.00 4.23 C ATOM 844 O GLY A 51 2.871 -4.860 -14.611 1.00 4.51 O ATOM 0 H GLY A 51 3.831 -2.245 -12.624 1.00 4.41 H new ATOM 0 HA2 GLY A 51 1.247 -2.345 -14.016 1.00 4.45 H new ATOM 0 HA3 GLY A 51 2.625 -2.385 -15.099 1.00 4.45 H new ATOM 848 N GLY A 52 2.274 -4.461 -12.526 1.00 4.17 N ATOM 849 CA GLY A 52 2.419 -5.897 -12.145 1.00 4.28 C ATOM 850 C GLY A 52 1.036 -6.544 -12.048 1.00 4.17 C ATOM 851 O GLY A 52 0.092 -6.104 -12.678 1.00 4.68 O ATOM 0 H GLY A 52 1.978 -3.842 -11.771 1.00 4.17 H new ATOM 0 HA2 GLY A 52 3.026 -6.420 -12.884 1.00 4.28 H new ATOM 0 HA3 GLY A 52 2.938 -5.980 -11.190 1.00 4.28 H new ATOM 855 N ASP A 53 0.903 -7.561 -11.235 1.00 3.91 N ATOM 856 CA ASP A 53 -0.427 -8.216 -11.056 1.00 4.15 C ATOM 857 C ASP A 53 -0.399 -9.152 -9.845 1.00 3.71 C ATOM 858 O ASP A 53 -1.087 -8.933 -8.865 1.00 3.78 O ATOM 859 CB ASP A 53 -0.654 -9.010 -12.343 1.00 4.63 C ATOM 860 CG ASP A 53 -2.050 -9.636 -12.317 1.00 5.15 C ATOM 861 OD1 ASP A 53 -2.310 -10.419 -11.418 1.00 5.42 O ATOM 862 OD2 ASP A 53 -2.835 -9.322 -13.196 1.00 5.63 O ATOM 0 H ASP A 53 1.661 -7.967 -10.686 1.00 3.91 H new ATOM 0 HA ASP A 53 -1.222 -7.492 -10.878 1.00 4.15 H new ATOM 0 HB2 ASP A 53 -0.553 -8.356 -13.209 1.00 4.63 H new ATOM 0 HB3 ASP A 53 0.103 -9.788 -12.441 1.00 4.63 H new ATOM 867 N ALA A 54 0.419 -10.173 -9.893 1.00 3.70 N ATOM 868 CA ALA A 54 0.530 -11.107 -8.732 1.00 3.52 C ATOM 869 C ALA A 54 1.448 -10.512 -7.660 1.00 3.10 C ATOM 870 O ALA A 54 1.989 -9.435 -7.825 1.00 3.33 O ATOM 871 CB ALA A 54 1.137 -12.387 -9.308 1.00 4.16 C ATOM 0 H ALA A 54 1.016 -10.400 -10.688 1.00 3.70 H new ATOM 0 HA ALA A 54 -0.434 -11.292 -8.258 1.00 3.52 H new ATOM 0 HB1 ALA A 54 1.251 -13.125 -8.514 1.00 4.16 H new ATOM 0 HB2 ALA A 54 0.481 -12.785 -10.082 1.00 4.16 H new ATOM 0 HB3 ALA A 54 2.113 -12.165 -9.739 1.00 4.16 H new ATOM 877 N THR A 55 1.656 -11.226 -6.583 1.00 2.99 N ATOM 878 CA THR A 55 2.575 -10.729 -5.514 1.00 2.90 C ATOM 879 C THR A 55 3.602 -11.807 -5.157 1.00 3.16 C ATOM 880 O THR A 55 3.808 -12.119 -3.999 1.00 3.59 O ATOM 881 CB THR A 55 1.670 -10.429 -4.315 1.00 3.14 C ATOM 882 OG1 THR A 55 0.467 -9.823 -4.768 1.00 3.70 O ATOM 883 CG2 THR A 55 2.388 -9.481 -3.352 1.00 3.78 C ATOM 0 H THR A 55 1.228 -12.133 -6.397 1.00 2.99 H new ATOM 0 HA THR A 55 3.135 -9.849 -5.829 1.00 2.90 H new ATOM 0 HB THR A 55 1.436 -11.360 -3.798 1.00 3.14 H new ATOM 0 HG1 THR A 55 -0.001 -9.416 -4.009 1.00 3.70 H new ATOM 0 HG21 THR A 55 1.742 -9.269 -2.500 1.00 3.78 H new ATOM 0 HG22 THR A 55 3.309 -9.947 -3.002 1.00 3.78 H new ATOM 0 HG23 THR A 55 2.625 -8.550 -3.867 1.00 3.78 H new ATOM 891 N GLU A 56 4.275 -12.345 -6.142 1.00 3.38 N ATOM 892 CA GLU A 56 5.328 -13.368 -5.866 1.00 3.97 C ATOM 893 C GLU A 56 6.622 -12.686 -5.415 1.00 3.71 C ATOM 894 O GLU A 56 7.152 -12.981 -4.360 1.00 4.15 O ATOM 895 CB GLU A 56 5.538 -14.092 -7.197 1.00 4.75 C ATOM 896 CG GLU A 56 4.673 -15.353 -7.236 1.00 5.37 C ATOM 897 CD GLU A 56 4.269 -15.652 -8.680 1.00 6.11 C ATOM 898 OE1 GLU A 56 3.844 -14.731 -9.358 1.00 6.53 O ATOM 899 OE2 GLU A 56 4.392 -16.796 -9.085 1.00 6.52 O ATOM 0 H GLU A 56 4.140 -12.119 -7.128 1.00 3.38 H new ATOM 0 HA GLU A 56 5.038 -14.055 -5.071 1.00 3.97 H new ATOM 0 HB2 GLU A 56 5.277 -13.434 -8.026 1.00 4.75 H new ATOM 0 HB3 GLU A 56 6.589 -14.355 -7.318 1.00 4.75 H new ATOM 0 HG2 GLU A 56 5.223 -16.197 -6.819 1.00 5.37 H new ATOM 0 HG3 GLU A 56 3.784 -15.216 -6.620 1.00 5.37 H new ATOM 906 N ASN A 57 7.108 -11.749 -6.188 1.00 3.39 N ATOM 907 CA ASN A 57 8.341 -11.006 -5.789 1.00 3.40 C ATOM 908 C ASN A 57 7.979 -9.835 -4.872 1.00 3.08 C ATOM 909 O ASN A 57 7.922 -8.697 -5.298 1.00 3.56 O ATOM 910 CB ASN A 57 8.938 -10.497 -7.102 1.00 3.82 C ATOM 911 CG ASN A 57 9.996 -11.483 -7.600 1.00 4.37 C ATOM 912 OD1 ASN A 57 10.821 -11.944 -6.836 1.00 4.80 O ATOM 913 ND2 ASN A 57 10.008 -11.829 -8.858 1.00 4.86 N ATOM 0 H ASN A 57 6.703 -11.466 -7.080 1.00 3.39 H new ATOM 0 HA ASN A 57 9.043 -11.633 -5.239 1.00 3.40 H new ATOM 0 HB2 ASN A 57 8.153 -10.382 -7.850 1.00 3.82 H new ATOM 0 HB3 ASN A 57 9.384 -9.514 -6.954 1.00 3.82 H new ATOM 0 HD21 ASN A 57 10.709 -12.486 -9.200 1.00 4.86 H new ATOM 0 HD22 ASN A 57 9.316 -11.443 -9.500 1.00 4.86 H new ATOM 920 N PHE A 58 7.770 -10.105 -3.608 1.00 2.72 N ATOM 921 CA PHE A 58 7.451 -9.006 -2.644 1.00 2.74 C ATOM 922 C PHE A 58 8.615 -8.013 -2.574 1.00 2.65 C ATOM 923 O PHE A 58 8.487 -6.867 -2.961 1.00 3.14 O ATOM 924 CB PHE A 58 7.252 -9.701 -1.292 1.00 3.04 C ATOM 925 CG PHE A 58 6.050 -9.115 -0.588 1.00 2.81 C ATOM 926 CD1 PHE A 58 4.807 -9.082 -1.232 1.00 2.66 C ATOM 927 CD2 PHE A 58 6.179 -8.607 0.710 1.00 3.43 C ATOM 928 CE1 PHE A 58 3.694 -8.539 -0.578 1.00 3.00 C ATOM 929 CE2 PHE A 58 5.066 -8.065 1.364 1.00 3.69 C ATOM 930 CZ PHE A 58 3.824 -8.031 0.720 1.00 3.41 C ATOM 0 H PHE A 58 7.806 -11.040 -3.201 1.00 2.72 H new ATOM 0 HA PHE A 58 6.567 -8.441 -2.941 1.00 2.74 H new ATOM 0 HB2 PHE A 58 7.112 -10.772 -1.440 1.00 3.04 H new ATOM 0 HB3 PHE A 58 8.142 -9.578 -0.675 1.00 3.04 H new ATOM 0 HD1 PHE A 58 4.707 -9.475 -2.233 1.00 2.66 H new ATOM 0 HD2 PHE A 58 7.137 -8.633 1.207 1.00 3.43 H new ATOM 0 HE1 PHE A 58 2.736 -8.512 -1.075 1.00 3.00 H new ATOM 0 HE2 PHE A 58 5.166 -7.673 2.365 1.00 3.69 H new ATOM 0 HZ PHE A 58 2.966 -7.613 1.225 1.00 3.41 H new ATOM 940 N GLU A 59 9.760 -8.460 -2.124 1.00 2.53 N ATOM 941 CA GLU A 59 10.954 -7.564 -2.074 1.00 2.64 C ATOM 942 C GLU A 59 11.964 -7.971 -3.149 1.00 2.90 C ATOM 943 O GLU A 59 11.949 -9.087 -3.634 1.00 3.40 O ATOM 944 CB GLU A 59 11.544 -7.769 -0.678 1.00 2.85 C ATOM 945 CG GLU A 59 10.989 -6.706 0.273 1.00 3.46 C ATOM 946 CD GLU A 59 12.059 -6.332 1.301 1.00 3.78 C ATOM 947 OE1 GLU A 59 12.618 -7.235 1.901 1.00 4.19 O ATOM 948 OE2 GLU A 59 12.301 -5.148 1.470 1.00 4.09 O ATOM 0 H GLU A 59 9.919 -9.410 -1.788 1.00 2.53 H new ATOM 0 HA GLU A 59 10.697 -6.521 -2.258 1.00 2.64 H new ATOM 0 HB2 GLU A 59 11.298 -8.765 -0.310 1.00 2.85 H new ATOM 0 HB3 GLU A 59 12.631 -7.704 -0.718 1.00 2.85 H new ATOM 0 HG2 GLU A 59 10.685 -5.823 -0.289 1.00 3.46 H new ATOM 0 HG3 GLU A 59 10.100 -7.083 0.778 1.00 3.46 H new ATOM 955 N ASP A 60 12.861 -7.084 -3.499 1.00 3.07 N ATOM 956 CA ASP A 60 13.902 -7.424 -4.515 1.00 3.55 C ATOM 957 C ASP A 60 15.236 -7.730 -3.822 1.00 3.41 C ATOM 958 O ASP A 60 15.612 -8.877 -3.666 1.00 3.74 O ATOM 959 CB ASP A 60 14.019 -6.175 -5.396 1.00 4.42 C ATOM 960 CG ASP A 60 13.344 -6.428 -6.746 1.00 5.17 C ATOM 961 OD1 ASP A 60 12.146 -6.658 -6.753 1.00 5.50 O ATOM 962 OD2 ASP A 60 14.037 -6.387 -7.750 1.00 5.73 O ATOM 0 H ASP A 60 12.917 -6.137 -3.124 1.00 3.07 H new ATOM 0 HA ASP A 60 13.641 -8.307 -5.099 1.00 3.55 H new ATOM 0 HB2 ASP A 60 13.553 -5.324 -4.900 1.00 4.42 H new ATOM 0 HB3 ASP A 60 15.068 -5.921 -5.546 1.00 4.42 H new ATOM 967 N VAL A 61 15.935 -6.715 -3.378 1.00 3.52 N ATOM 968 CA VAL A 61 17.227 -6.942 -2.660 1.00 3.90 C ATOM 969 C VAL A 61 17.703 -5.641 -2.001 1.00 3.91 C ATOM 970 O VAL A 61 17.223 -4.567 -2.314 1.00 4.19 O ATOM 971 CB VAL A 61 18.210 -7.403 -3.746 1.00 4.68 C ATOM 972 CG1 VAL A 61 18.346 -6.322 -4.823 1.00 5.05 C ATOM 973 CG2 VAL A 61 19.581 -7.672 -3.119 1.00 5.26 C ATOM 0 H VAL A 61 15.666 -5.737 -3.482 1.00 3.52 H new ATOM 0 HA VAL A 61 17.136 -7.679 -1.862 1.00 3.90 H new ATOM 0 HB VAL A 61 17.831 -8.318 -4.202 1.00 4.68 H new ATOM 0 HG11 VAL A 61 19.045 -6.658 -5.589 1.00 5.05 H new ATOM 0 HG12 VAL A 61 17.373 -6.136 -5.277 1.00 5.05 H new ATOM 0 HG13 VAL A 61 18.717 -5.402 -4.371 1.00 5.05 H new ATOM 0 HG21 VAL A 61 20.277 -7.999 -3.892 1.00 5.26 H new ATOM 0 HG22 VAL A 61 19.955 -6.759 -2.657 1.00 5.26 H new ATOM 0 HG23 VAL A 61 19.488 -8.450 -2.361 1.00 5.26 H new ATOM 983 N GLY A 62 18.674 -5.729 -1.128 1.00 4.12 N ATOM 984 CA GLY A 62 19.225 -4.500 -0.485 1.00 4.52 C ATOM 985 C GLY A 62 19.051 -4.590 1.033 1.00 4.14 C ATOM 986 O GLY A 62 18.808 -3.599 1.696 1.00 4.28 O ATOM 0 H GLY A 62 19.110 -6.603 -0.833 1.00 4.12 H new ATOM 0 HA2 GLY A 62 20.280 -4.390 -0.734 1.00 4.52 H new ATOM 0 HA3 GLY A 62 18.713 -3.617 -0.868 1.00 4.52 H new ATOM 990 N HIS A 63 19.216 -5.763 1.590 1.00 3.98 N ATOM 991 CA HIS A 63 19.109 -5.918 3.072 1.00 3.85 C ATOM 992 C HIS A 63 20.061 -7.018 3.554 1.00 3.97 C ATOM 993 O HIS A 63 20.856 -6.810 4.447 1.00 4.28 O ATOM 994 CB HIS A 63 17.649 -6.317 3.329 1.00 4.09 C ATOM 995 CG HIS A 63 16.903 -5.167 3.956 1.00 4.15 C ATOM 996 ND1 HIS A 63 17.293 -3.848 3.784 1.00 4.76 N ATOM 997 CD2 HIS A 63 15.788 -5.125 4.757 1.00 4.14 C ATOM 998 CE1 HIS A 63 16.428 -3.076 4.466 1.00 5.10 C ATOM 999 NE2 HIS A 63 15.491 -3.804 5.077 1.00 4.69 N ATOM 0 H HIS A 63 19.421 -6.622 1.080 1.00 3.98 H new ATOM 0 HA HIS A 63 19.378 -5.006 3.604 1.00 3.85 H new ATOM 0 HB2 HIS A 63 17.171 -6.603 2.392 1.00 4.09 H new ATOM 0 HB3 HIS A 63 17.611 -7.187 3.985 1.00 4.09 H new ATOM 0 HD1 HIS A 63 18.091 -3.522 3.239 1.00 4.76 H new ATOM 0 HD2 HIS A 63 15.227 -5.986 5.088 1.00 4.14 H new ATOM 0 HE1 HIS A 63 16.485 -1.999 4.513 1.00 5.10 H new ATOM 1007 N SER A 64 20.011 -8.172 2.932 1.00 4.15 N ATOM 1008 CA SER A 64 20.935 -9.296 3.301 1.00 4.54 C ATOM 1009 C SER A 64 20.780 -9.666 4.786 1.00 4.25 C ATOM 1010 O SER A 64 20.031 -10.564 5.125 1.00 4.53 O ATOM 1011 CB SER A 64 22.354 -8.794 2.996 1.00 5.35 C ATOM 1012 OG SER A 64 22.830 -9.424 1.814 1.00 5.98 O ATOM 0 H SER A 64 19.362 -8.387 2.175 1.00 4.15 H new ATOM 0 HA SER A 64 20.710 -10.201 2.736 1.00 4.54 H new ATOM 0 HB2 SER A 64 22.350 -7.711 2.869 1.00 5.35 H new ATOM 0 HB3 SER A 64 23.018 -9.014 3.832 1.00 5.35 H new ATOM 0 HG SER A 64 23.735 -9.105 1.615 1.00 5.98 H new ATOM 1018 N THR A 65 21.453 -8.972 5.674 1.00 4.12 N ATOM 1019 CA THR A 65 21.311 -9.273 7.135 1.00 4.21 C ATOM 1020 C THR A 65 19.850 -9.119 7.576 1.00 3.99 C ATOM 1021 O THR A 65 19.408 -9.757 8.513 1.00 4.19 O ATOM 1022 CB THR A 65 22.206 -8.253 7.853 1.00 4.79 C ATOM 1023 OG1 THR A 65 22.114 -8.455 9.256 1.00 5.21 O ATOM 1024 CG2 THR A 65 21.760 -6.828 7.512 1.00 5.07 C ATOM 0 H THR A 65 22.094 -8.211 5.450 1.00 4.12 H new ATOM 0 HA THR A 65 21.602 -10.297 7.368 1.00 4.21 H new ATOM 0 HB THR A 65 23.237 -8.389 7.526 1.00 4.79 H new ATOM 0 HG1 THR A 65 22.685 -7.807 9.718 1.00 5.21 H new ATOM 0 HG21 THR A 65 22.402 -6.113 8.027 1.00 5.07 H new ATOM 0 HG22 THR A 65 21.833 -6.672 6.436 1.00 5.07 H new ATOM 0 HG23 THR A 65 20.728 -6.684 7.831 1.00 5.07 H new ATOM 1032 N ASP A 66 19.090 -8.307 6.883 1.00 4.02 N ATOM 1033 CA ASP A 66 17.647 -8.143 7.230 1.00 4.11 C ATOM 1034 C ASP A 66 16.795 -9.135 6.432 1.00 3.94 C ATOM 1035 O ASP A 66 16.314 -8.828 5.358 1.00 4.25 O ATOM 1036 CB ASP A 66 17.306 -6.706 6.836 1.00 4.62 C ATOM 1037 CG ASP A 66 17.792 -5.749 7.926 1.00 5.13 C ATOM 1038 OD1 ASP A 66 17.335 -5.881 9.049 1.00 5.74 O ATOM 1039 OD2 ASP A 66 18.612 -4.900 7.618 1.00 5.26 O ATOM 0 H ASP A 66 19.409 -7.750 6.090 1.00 4.02 H new ATOM 0 HA ASP A 66 17.452 -8.334 8.285 1.00 4.11 H new ATOM 0 HB2 ASP A 66 17.775 -6.458 5.884 1.00 4.62 H new ATOM 0 HB3 ASP A 66 16.230 -6.601 6.698 1.00 4.62 H new ATOM 1044 N ALA A 67 16.578 -10.308 6.971 1.00 3.88 N ATOM 1045 CA ALA A 67 15.721 -11.313 6.272 1.00 4.04 C ATOM 1046 C ALA A 67 14.241 -11.031 6.545 1.00 3.61 C ATOM 1047 O ALA A 67 13.386 -11.321 5.729 1.00 4.05 O ATOM 1048 CB ALA A 67 16.128 -12.662 6.866 1.00 4.70 C ATOM 0 H ALA A 67 16.958 -10.613 7.867 1.00 3.88 H new ATOM 0 HA ALA A 67 15.854 -11.286 5.190 1.00 4.04 H new ATOM 0 HB1 ALA A 67 15.541 -13.455 6.403 1.00 4.70 H new ATOM 0 HB2 ALA A 67 17.187 -12.837 6.679 1.00 4.70 H new ATOM 0 HB3 ALA A 67 15.946 -12.656 7.941 1.00 4.70 H new ATOM 1054 N ARG A 68 13.938 -10.436 7.671 1.00 3.23 N ATOM 1055 CA ARG A 68 12.515 -10.093 7.986 1.00 3.24 C ATOM 1056 C ARG A 68 11.956 -9.133 6.932 1.00 2.66 C ATOM 1057 O ARG A 68 12.688 -8.381 6.316 1.00 2.92 O ATOM 1058 CB ARG A 68 12.555 -9.417 9.358 1.00 3.86 C ATOM 1059 CG ARG A 68 11.313 -9.811 10.159 1.00 4.76 C ATOM 1060 CD ARG A 68 11.248 -8.982 11.444 1.00 5.47 C ATOM 1061 NE ARG A 68 10.766 -9.931 12.496 1.00 6.37 N ATOM 1062 CZ ARG A 68 10.215 -9.497 13.612 1.00 7.00 C ATOM 1063 NH1 ARG A 68 10.103 -8.214 13.872 1.00 6.94 N ATOM 1064 NH2 ARG A 68 9.770 -10.363 14.481 1.00 7.96 N ATOM 0 H ARG A 68 14.614 -10.172 8.387 1.00 3.23 H new ATOM 0 HA ARG A 68 11.873 -10.974 7.988 1.00 3.24 H new ATOM 0 HB2 ARG A 68 13.456 -9.714 9.895 1.00 3.86 H new ATOM 0 HB3 ARG A 68 12.596 -8.334 9.240 1.00 3.86 H new ATOM 0 HG2 ARG A 68 10.416 -9.647 9.562 1.00 4.76 H new ATOM 0 HG3 ARG A 68 11.345 -10.873 10.401 1.00 4.76 H new ATOM 0 HD2 ARG A 68 12.226 -8.574 11.700 1.00 5.47 H new ATOM 0 HD3 ARG A 68 10.568 -8.137 11.334 1.00 5.47 H new ATOM 0 HE ARG A 68 10.866 -10.935 12.346 1.00 6.37 H new ATOM 0 HH11 ARG A 68 10.447 -7.526 13.202 1.00 6.94 H new ATOM 0 HH12 ARG A 68 9.672 -7.906 14.744 1.00 6.94 H new ATOM 0 HH21 ARG A 68 9.851 -11.362 14.293 1.00 7.96 H new ATOM 0 HH22 ARG A 68 9.341 -10.041 15.349 1.00 7.96 H new ATOM 1078 N GLU A 69 10.660 -9.127 6.752 1.00 2.45 N ATOM 1079 CA GLU A 69 10.038 -8.187 5.772 1.00 2.27 C ATOM 1080 C GLU A 69 9.883 -6.798 6.396 1.00 1.66 C ATOM 1081 O GLU A 69 9.534 -6.665 7.554 1.00 1.87 O ATOM 1082 CB GLU A 69 8.668 -8.789 5.458 1.00 3.10 C ATOM 1083 CG GLU A 69 8.794 -9.762 4.283 1.00 3.84 C ATOM 1084 CD GLU A 69 7.570 -10.679 4.246 1.00 4.65 C ATOM 1085 OE1 GLU A 69 6.470 -10.162 4.141 1.00 5.05 O ATOM 1086 OE2 GLU A 69 7.754 -11.883 4.323 1.00 5.18 O ATOM 0 H GLU A 69 10.004 -9.734 7.243 1.00 2.45 H new ATOM 0 HA GLU A 69 10.645 -8.066 4.875 1.00 2.27 H new ATOM 0 HB2 GLU A 69 8.278 -9.308 6.333 1.00 3.10 H new ATOM 0 HB3 GLU A 69 7.959 -7.998 5.214 1.00 3.10 H new ATOM 0 HG2 GLU A 69 8.876 -9.210 3.347 1.00 3.84 H new ATOM 0 HG3 GLU A 69 9.703 -10.355 4.384 1.00 3.84 H new ATOM 1093 N LEU A 70 10.104 -5.764 5.624 1.00 1.17 N ATOM 1094 CA LEU A 70 9.932 -4.377 6.150 1.00 0.83 C ATOM 1095 C LEU A 70 8.479 -3.919 5.984 1.00 0.68 C ATOM 1096 O LEU A 70 7.996 -3.089 6.731 1.00 0.73 O ATOM 1097 CB LEU A 70 10.865 -3.513 5.302 1.00 1.06 C ATOM 1098 CG LEU A 70 11.400 -2.356 6.147 1.00 1.07 C ATOM 1099 CD1 LEU A 70 12.289 -2.904 7.264 1.00 1.84 C ATOM 1100 CD2 LEU A 70 12.220 -1.416 5.260 1.00 1.75 C ATOM 0 H LEU A 70 10.397 -5.822 4.649 1.00 1.17 H new ATOM 0 HA LEU A 70 10.165 -4.309 7.213 1.00 0.83 H new ATOM 0 HB2 LEU A 70 11.692 -4.115 4.925 1.00 1.06 H new ATOM 0 HB3 LEU A 70 10.331 -3.126 4.434 1.00 1.06 H new ATOM 0 HG LEU A 70 10.564 -1.810 6.585 1.00 1.07 H new ATOM 0 HD11 LEU A 70 12.669 -2.078 7.865 1.00 1.84 H new ATOM 0 HD12 LEU A 70 11.707 -3.575 7.896 1.00 1.84 H new ATOM 0 HD13 LEU A 70 13.125 -3.451 6.828 1.00 1.84 H new ATOM 0 HD21 LEU A 70 12.602 -0.590 5.860 1.00 1.75 H new ATOM 0 HD22 LEU A 70 13.055 -1.964 4.823 1.00 1.75 H new ATOM 0 HD23 LEU A 70 11.588 -1.023 4.464 1.00 1.75 H new ATOM 1112 N SER A 71 7.773 -4.475 5.030 1.00 0.68 N ATOM 1113 CA SER A 71 6.339 -4.097 4.835 1.00 0.65 C ATOM 1114 C SER A 71 5.506 -4.535 6.043 1.00 0.67 C ATOM 1115 O SER A 71 4.827 -5.545 6.007 1.00 1.16 O ATOM 1116 CB SER A 71 5.892 -4.843 3.577 1.00 0.79 C ATOM 1117 OG SER A 71 6.386 -6.175 3.621 1.00 0.89 O ATOM 0 H SER A 71 8.128 -5.174 4.378 1.00 0.68 H new ATOM 0 HA SER A 71 6.210 -3.019 4.734 1.00 0.65 H new ATOM 0 HB2 SER A 71 4.804 -4.848 3.511 1.00 0.79 H new ATOM 0 HB3 SER A 71 6.263 -4.334 2.687 1.00 0.79 H new ATOM 0 HG SER A 71 6.083 -6.609 4.446 1.00 0.89 H new ATOM 1123 N LYS A 72 5.519 -3.757 7.096 1.00 0.59 N ATOM 1124 CA LYS A 72 4.692 -4.090 8.295 1.00 0.66 C ATOM 1125 C LYS A 72 4.675 -2.906 9.267 1.00 0.61 C ATOM 1126 O LYS A 72 3.646 -2.557 9.815 1.00 0.71 O ATOM 1127 CB LYS A 72 5.381 -5.297 8.934 1.00 0.88 C ATOM 1128 CG LYS A 72 4.406 -6.001 9.880 1.00 1.15 C ATOM 1129 CD LYS A 72 4.668 -7.508 9.854 1.00 1.57 C ATOM 1130 CE LYS A 72 3.743 -8.205 10.854 1.00 2.08 C ATOM 1131 NZ LYS A 72 3.315 -9.458 10.172 1.00 2.74 N ATOM 0 H LYS A 72 6.069 -2.902 7.177 1.00 0.59 H new ATOM 0 HA LYS A 72 3.656 -4.306 8.034 1.00 0.66 H new ATOM 0 HB2 LYS A 72 5.717 -5.988 8.161 1.00 0.88 H new ATOM 0 HB3 LYS A 72 6.267 -4.975 9.481 1.00 0.88 H new ATOM 0 HG2 LYS A 72 4.525 -5.618 10.893 1.00 1.15 H new ATOM 0 HG3 LYS A 72 3.379 -5.795 9.580 1.00 1.15 H new ATOM 0 HD2 LYS A 72 4.498 -7.900 8.851 1.00 1.57 H new ATOM 0 HD3 LYS A 72 5.709 -7.711 10.103 1.00 1.57 H new ATOM 0 HE2 LYS A 72 4.262 -8.421 11.788 1.00 2.08 H new ATOM 0 HE3 LYS A 72 2.887 -7.578 11.103 1.00 2.08 H new ATOM 0 HZ1 LYS A 72 2.677 -9.992 10.796 1.00 2.74 H new ATOM 0 HZ2 LYS A 72 2.818 -9.221 9.290 1.00 2.74 H new ATOM 0 HZ3 LYS A 72 4.151 -10.037 9.954 1.00 2.74 H new ATOM 1145 N THR A 73 5.801 -2.266 9.450 1.00 0.59 N ATOM 1146 CA THR A 73 5.856 -1.072 10.347 1.00 0.61 C ATOM 1147 C THR A 73 5.685 0.219 9.537 1.00 0.53 C ATOM 1148 O THR A 73 5.268 1.235 10.061 1.00 0.88 O ATOM 1149 CB THR A 73 7.245 -1.122 10.986 1.00 0.73 C ATOM 1150 OG1 THR A 73 8.231 -1.181 9.965 1.00 1.46 O ATOM 1151 CG2 THR A 73 7.355 -2.360 11.877 1.00 1.50 C ATOM 0 H THR A 73 6.688 -2.520 9.015 1.00 0.59 H new ATOM 0 HA THR A 73 5.060 -1.083 11.092 1.00 0.61 H new ATOM 0 HB THR A 73 7.400 -0.228 11.591 1.00 0.73 H new ATOM 0 HG1 THR A 73 8.239 -0.336 9.468 1.00 1.46 H new ATOM 0 HG21 THR A 73 8.345 -2.394 12.332 1.00 1.50 H new ATOM 0 HG22 THR A 73 6.598 -2.313 12.660 1.00 1.50 H new ATOM 0 HG23 THR A 73 7.201 -3.256 11.276 1.00 1.50 H new ATOM 1159 N TYR A 74 5.973 0.178 8.259 1.00 0.32 N ATOM 1160 CA TYR A 74 5.794 1.392 7.406 1.00 0.32 C ATOM 1161 C TYR A 74 4.384 1.416 6.806 1.00 0.27 C ATOM 1162 O TYR A 74 4.209 1.643 5.623 1.00 0.35 O ATOM 1163 CB TYR A 74 6.843 1.255 6.300 1.00 0.40 C ATOM 1164 CG TYR A 74 8.226 1.292 6.906 1.00 0.49 C ATOM 1165 CD1 TYR A 74 8.784 0.128 7.450 1.00 1.29 C ATOM 1166 CD2 TYR A 74 8.950 2.490 6.925 1.00 1.37 C ATOM 1167 CE1 TYR A 74 10.066 0.164 8.012 1.00 1.31 C ATOM 1168 CE2 TYR A 74 10.232 2.525 7.488 1.00 1.50 C ATOM 1169 CZ TYR A 74 10.789 1.362 8.032 1.00 0.82 C ATOM 1170 OH TYR A 74 12.052 1.396 8.587 1.00 1.01 O ATOM 0 H TYR A 74 6.325 -0.645 7.770 1.00 0.32 H new ATOM 0 HA TYR A 74 5.914 2.316 7.972 1.00 0.32 H new ATOM 0 HB2 TYR A 74 6.697 0.320 5.760 1.00 0.40 H new ATOM 0 HB3 TYR A 74 6.730 2.062 5.576 1.00 0.40 H new ATOM 0 HD1 TYR A 74 8.226 -0.796 7.436 1.00 1.29 H new ATOM 0 HD2 TYR A 74 8.520 3.387 6.505 1.00 1.37 H new ATOM 0 HE1 TYR A 74 10.497 -0.733 8.430 1.00 1.31 H new ATOM 0 HE2 TYR A 74 10.791 3.449 7.502 1.00 1.50 H new ATOM 0 HH TYR A 74 12.415 2.304 8.518 1.00 1.01 H new ATOM 1180 N ILE A 75 3.378 1.212 7.620 1.00 0.25 N ATOM 1181 CA ILE A 75 1.973 1.254 7.108 1.00 0.23 C ATOM 1182 C ILE A 75 1.162 2.305 7.873 1.00 0.23 C ATOM 1183 O ILE A 75 1.574 2.783 8.913 1.00 0.27 O ATOM 1184 CB ILE A 75 1.411 -0.151 7.356 1.00 0.26 C ATOM 1185 CG1 ILE A 75 2.274 -1.189 6.632 1.00 0.29 C ATOM 1186 CG2 ILE A 75 -0.021 -0.230 6.821 1.00 0.31 C ATOM 1187 CD1 ILE A 75 1.856 -2.595 7.067 1.00 0.57 C ATOM 0 H ILE A 75 3.469 1.018 8.617 1.00 0.25 H new ATOM 0 HA ILE A 75 1.927 1.526 6.053 1.00 0.23 H new ATOM 0 HB ILE A 75 1.417 -0.355 8.427 1.00 0.26 H new ATOM 0 HG12 ILE A 75 2.161 -1.082 5.553 1.00 0.29 H new ATOM 0 HG13 ILE A 75 3.327 -1.025 6.860 1.00 0.29 H new ATOM 0 HG21 ILE A 75 -0.421 -1.229 6.997 1.00 0.31 H new ATOM 0 HG22 ILE A 75 -0.642 0.505 7.333 1.00 0.31 H new ATOM 0 HG23 ILE A 75 -0.022 -0.023 5.751 1.00 0.31 H new ATOM 0 HD11 ILE A 75 2.470 -3.333 6.551 1.00 0.57 H new ATOM 0 HD12 ILE A 75 1.992 -2.698 8.144 1.00 0.57 H new ATOM 0 HD13 ILE A 75 0.808 -2.757 6.816 1.00 0.57 H new ATOM 1199 N ILE A 76 0.005 2.653 7.370 1.00 0.26 N ATOM 1200 CA ILE A 76 -0.855 3.662 8.068 1.00 0.28 C ATOM 1201 C ILE A 76 -2.280 3.126 8.261 1.00 0.28 C ATOM 1202 O ILE A 76 -2.905 3.367 9.277 1.00 0.34 O ATOM 1203 CB ILE A 76 -0.856 4.896 7.156 1.00 0.29 C ATOM 1204 CG1 ILE A 76 -1.345 4.512 5.748 1.00 0.28 C ATOM 1205 CG2 ILE A 76 0.565 5.457 7.074 1.00 0.32 C ATOM 1206 CD1 ILE A 76 -1.377 5.749 4.846 1.00 0.36 C ATOM 0 H ILE A 76 -0.384 2.282 6.503 1.00 0.26 H new ATOM 0 HA ILE A 76 -0.477 3.895 9.063 1.00 0.28 H new ATOM 0 HB ILE A 76 -1.527 5.650 7.567 1.00 0.29 H new ATOM 0 HG12 ILE A 76 -0.686 3.757 5.319 1.00 0.28 H new ATOM 0 HG13 ILE A 76 -2.340 4.070 5.808 1.00 0.28 H new ATOM 0 HG21 ILE A 76 0.573 6.335 6.427 1.00 0.32 H new ATOM 0 HG22 ILE A 76 0.903 5.738 8.071 1.00 0.32 H new ATOM 0 HG23 ILE A 76 1.232 4.699 6.665 1.00 0.32 H new ATOM 0 HD11 ILE A 76 -1.724 5.466 3.852 1.00 0.36 H new ATOM 0 HD12 ILE A 76 -2.054 6.491 5.269 1.00 0.36 H new ATOM 0 HD13 ILE A 76 -0.375 6.172 4.773 1.00 0.36 H new ATOM 1218 N GLY A 77 -2.788 2.390 7.306 1.00 0.25 N ATOM 1219 CA GLY A 77 -4.161 1.820 7.438 1.00 0.27 C ATOM 1220 C GLY A 77 -4.511 1.053 6.164 1.00 0.28 C ATOM 1221 O GLY A 77 -3.662 0.812 5.328 1.00 0.33 O ATOM 0 H GLY A 77 -2.308 2.159 6.436 1.00 0.25 H new ATOM 0 HA2 GLY A 77 -4.211 1.157 8.301 1.00 0.27 H new ATOM 0 HA3 GLY A 77 -4.884 2.618 7.607 1.00 0.27 H new ATOM 1225 N GLU A 78 -5.764 0.720 5.982 1.00 0.31 N ATOM 1226 CA GLU A 78 -6.181 0.029 4.726 1.00 0.33 C ATOM 1227 C GLU A 78 -7.007 0.974 3.853 1.00 0.32 C ATOM 1228 O GLU A 78 -7.422 2.031 4.291 1.00 0.41 O ATOM 1229 CB GLU A 78 -7.036 -1.154 5.178 1.00 0.37 C ATOM 1230 CG GLU A 78 -6.154 -2.395 5.333 1.00 0.51 C ATOM 1231 CD GLU A 78 -7.009 -3.580 5.790 1.00 0.68 C ATOM 1232 OE1 GLU A 78 -7.958 -3.354 6.524 1.00 1.43 O ATOM 1233 OE2 GLU A 78 -6.701 -4.693 5.398 1.00 1.17 O ATOM 0 H GLU A 78 -6.515 0.897 6.649 1.00 0.31 H new ATOM 0 HA GLU A 78 -5.323 -0.292 4.134 1.00 0.33 H new ATOM 0 HB2 GLU A 78 -7.525 -0.922 6.124 1.00 0.37 H new ATOM 0 HB3 GLU A 78 -7.825 -1.345 4.450 1.00 0.37 H new ATOM 0 HG2 GLU A 78 -5.668 -2.628 4.386 1.00 0.51 H new ATOM 0 HG3 GLU A 78 -5.363 -2.203 6.058 1.00 0.51 H new ATOM 1240 N LEU A 79 -7.312 0.565 2.649 1.00 0.35 N ATOM 1241 CA LEU A 79 -8.189 1.395 1.772 1.00 0.40 C ATOM 1242 C LEU A 79 -9.655 1.035 2.014 1.00 0.36 C ATOM 1243 O LEU A 79 -9.970 -0.065 2.428 1.00 0.45 O ATOM 1244 CB LEU A 79 -7.779 1.036 0.343 1.00 0.54 C ATOM 1245 CG LEU A 79 -8.473 1.980 -0.641 1.00 0.55 C ATOM 1246 CD1 LEU A 79 -7.554 2.237 -1.837 1.00 1.06 C ATOM 1247 CD2 LEU A 79 -9.778 1.342 -1.129 1.00 1.00 C ATOM 0 H LEU A 79 -6.991 -0.310 2.235 1.00 0.35 H new ATOM 0 HA LEU A 79 -8.082 2.462 1.968 1.00 0.40 H new ATOM 0 HB2 LEU A 79 -6.697 1.112 0.234 1.00 0.54 H new ATOM 0 HB3 LEU A 79 -8.050 0.003 0.125 1.00 0.54 H new ATOM 0 HG LEU A 79 -8.694 2.924 -0.143 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -8.049 2.909 -2.538 1.00 1.06 H new ATOM 0 HD12 LEU A 79 -6.626 2.692 -1.491 1.00 1.06 H new ATOM 0 HD13 LEU A 79 -7.332 1.293 -2.335 1.00 1.06 H new ATOM 0 HD21 LEU A 79 -10.272 2.015 -1.830 1.00 1.00 H new ATOM 0 HD22 LEU A 79 -9.557 0.398 -1.627 1.00 1.00 H new ATOM 0 HD23 LEU A 79 -10.434 1.159 -0.278 1.00 1.00 H new ATOM 1259 N HIS A 80 -10.555 1.934 1.708 1.00 0.35 N ATOM 1260 CA HIS A 80 -12.010 1.623 1.862 1.00 0.37 C ATOM 1261 C HIS A 80 -12.391 0.436 0.957 1.00 0.38 C ATOM 1262 O HIS A 80 -12.373 0.565 -0.251 1.00 0.37 O ATOM 1263 CB HIS A 80 -12.741 2.891 1.411 1.00 0.43 C ATOM 1264 CG HIS A 80 -14.079 2.968 2.094 1.00 0.53 C ATOM 1265 ND1 HIS A 80 -14.887 1.855 2.264 1.00 0.68 N ATOM 1266 CD2 HIS A 80 -14.765 4.017 2.654 1.00 0.83 C ATOM 1267 CE1 HIS A 80 -16.002 2.256 2.903 1.00 0.69 C ATOM 1268 NE2 HIS A 80 -15.978 3.565 3.164 1.00 0.79 N ATOM 0 H HIS A 80 -10.347 2.869 1.358 1.00 0.35 H new ATOM 0 HA HIS A 80 -12.268 1.348 2.885 1.00 0.37 H new ATOM 0 HB2 HIS A 80 -12.146 3.772 1.652 1.00 0.43 H new ATOM 0 HB3 HIS A 80 -12.873 2.882 0.329 1.00 0.43 H new ATOM 0 HD2 HIS A 80 -14.416 5.038 2.693 1.00 0.83 H new ATOM 0 HE1 HIS A 80 -16.816 1.599 3.172 1.00 0.69 H new ATOM 0 HE2 HIS A 80 -16.695 4.116 3.636 1.00 0.79 H new ATOM 1276 N PRO A 81 -12.726 -0.692 1.559 1.00 0.50 N ATOM 1277 CA PRO A 81 -13.109 -1.894 0.761 1.00 0.58 C ATOM 1278 C PRO A 81 -14.222 -1.564 -0.246 1.00 0.51 C ATOM 1279 O PRO A 81 -14.378 -2.234 -1.249 1.00 0.56 O ATOM 1280 CB PRO A 81 -13.615 -2.879 1.812 1.00 0.77 C ATOM 1281 CG PRO A 81 -12.950 -2.461 3.081 1.00 0.81 C ATOM 1282 CD PRO A 81 -12.780 -0.968 3.006 1.00 0.64 C ATOM 0 HA PRO A 81 -12.279 -2.283 0.171 1.00 0.58 H new ATOM 0 HB2 PRO A 81 -14.700 -2.837 1.902 1.00 0.77 H new ATOM 0 HB3 PRO A 81 -13.356 -3.905 1.549 1.00 0.77 H new ATOM 0 HG2 PRO A 81 -13.554 -2.739 3.945 1.00 0.81 H new ATOM 0 HG3 PRO A 81 -11.985 -2.956 3.194 1.00 0.81 H new ATOM 0 HD2 PRO A 81 -13.610 -0.447 3.482 1.00 0.64 H new ATOM 0 HD3 PRO A 81 -11.869 -0.643 3.509 1.00 0.64 H new ATOM 1290 N ASP A 82 -14.980 -0.525 0.006 1.00 0.48 N ATOM 1291 CA ASP A 82 -16.072 -0.130 -0.942 1.00 0.53 C ATOM 1292 C ASP A 82 -15.514 0.085 -2.355 1.00 0.47 C ATOM 1293 O ASP A 82 -15.888 -0.600 -3.288 1.00 0.67 O ATOM 1294 CB ASP A 82 -16.627 1.184 -0.381 1.00 0.65 C ATOM 1295 CG ASP A 82 -17.804 1.654 -1.237 1.00 1.29 C ATOM 1296 OD1 ASP A 82 -17.557 2.185 -2.308 1.00 1.91 O ATOM 1297 OD2 ASP A 82 -18.932 1.477 -0.807 1.00 1.94 O ATOM 0 H ASP A 82 -14.890 0.069 0.830 1.00 0.48 H new ATOM 0 HA ASP A 82 -16.839 -0.901 -1.023 1.00 0.53 H new ATOM 0 HB2 ASP A 82 -16.949 1.043 0.651 1.00 0.65 H new ATOM 0 HB3 ASP A 82 -15.846 1.945 -0.370 1.00 0.65 H new ATOM 1302 N ASP A 83 -14.613 1.020 -2.512 1.00 0.39 N ATOM 1303 CA ASP A 83 -14.015 1.275 -3.859 1.00 0.47 C ATOM 1304 C ASP A 83 -12.915 0.252 -4.178 1.00 0.54 C ATOM 1305 O ASP A 83 -12.515 0.105 -5.318 1.00 0.77 O ATOM 1306 CB ASP A 83 -13.424 2.683 -3.766 1.00 0.56 C ATOM 1307 CG ASP A 83 -14.555 3.713 -3.775 1.00 0.84 C ATOM 1308 OD1 ASP A 83 -15.017 4.047 -4.854 1.00 1.33 O ATOM 1309 OD2 ASP A 83 -14.940 4.150 -2.704 1.00 1.51 O ATOM 0 H ASP A 83 -14.264 1.620 -1.764 1.00 0.39 H new ATOM 0 HA ASP A 83 -14.756 1.187 -4.654 1.00 0.47 H new ATOM 0 HB2 ASP A 83 -12.835 2.782 -2.854 1.00 0.56 H new ATOM 0 HB3 ASP A 83 -12.749 2.861 -4.603 1.00 0.56 H new ATOM 1314 N ARG A 84 -12.420 -0.449 -3.187 1.00 0.50 N ATOM 1315 CA ARG A 84 -11.342 -1.455 -3.440 1.00 0.73 C ATOM 1316 C ARG A 84 -11.901 -2.689 -4.156 1.00 1.01 C ATOM 1317 O ARG A 84 -11.354 -3.136 -5.148 1.00 1.43 O ATOM 1318 CB ARG A 84 -10.818 -1.839 -2.055 1.00 0.85 C ATOM 1319 CG ARG A 84 -9.457 -2.523 -2.193 1.00 0.97 C ATOM 1320 CD ARG A 84 -9.080 -3.183 -0.865 1.00 1.45 C ATOM 1321 NE ARG A 84 -9.997 -4.357 -0.744 1.00 1.97 N ATOM 1322 CZ ARG A 84 -9.816 -5.448 -1.462 1.00 2.73 C ATOM 1323 NH1 ARG A 84 -8.799 -5.570 -2.284 1.00 3.28 N ATOM 1324 NH2 ARG A 84 -10.669 -6.430 -1.354 1.00 3.42 N ATOM 0 H ARG A 84 -12.716 -0.368 -2.214 1.00 0.50 H new ATOM 0 HA ARG A 84 -10.558 -1.050 -4.080 1.00 0.73 H new ATOM 0 HB2 ARG A 84 -10.728 -0.951 -1.430 1.00 0.85 H new ATOM 0 HB3 ARG A 84 -11.523 -2.507 -1.560 1.00 0.85 H new ATOM 0 HG2 ARG A 84 -9.493 -3.271 -2.986 1.00 0.97 H new ATOM 0 HG3 ARG A 84 -8.699 -1.793 -2.477 1.00 0.97 H new ATOM 0 HD2 ARG A 84 -8.036 -3.496 -0.862 1.00 1.45 H new ATOM 0 HD3 ARG A 84 -9.209 -2.494 -0.031 1.00 1.45 H new ATOM 0 HE ARG A 84 -10.780 -4.313 -0.092 1.00 1.97 H new ATOM 0 HH11 ARG A 84 -8.126 -4.810 -2.379 1.00 3.28 H new ATOM 0 HH12 ARG A 84 -8.683 -6.425 -2.828 1.00 3.28 H new ATOM 0 HH21 ARG A 84 -11.464 -6.348 -0.720 1.00 3.42 H new ATOM 0 HH22 ARG A 84 -10.541 -7.280 -1.904 1.00 3.42 H new ATOM 1338 N SER A 85 -12.949 -3.275 -3.632 1.00 1.33 N ATOM 1339 CA SER A 85 -13.500 -4.521 -4.250 1.00 1.69 C ATOM 1340 C SER A 85 -14.572 -4.195 -5.308 1.00 1.80 C ATOM 1341 O SER A 85 -14.264 -4.053 -6.476 1.00 2.37 O ATOM 1342 CB SER A 85 -14.085 -5.316 -3.080 1.00 2.35 C ATOM 1343 OG SER A 85 -14.779 -6.450 -3.584 1.00 2.96 O ATOM 0 H SER A 85 -13.446 -2.945 -2.805 1.00 1.33 H new ATOM 0 HA SER A 85 -12.734 -5.088 -4.780 1.00 1.69 H new ATOM 0 HB2 SER A 85 -13.289 -5.632 -2.406 1.00 2.35 H new ATOM 0 HB3 SER A 85 -14.762 -4.688 -2.501 1.00 2.35 H new ATOM 0 HG SER A 85 -15.154 -6.963 -2.838 1.00 2.96 H new ATOM 1349 N LYS A 86 -15.830 -4.088 -4.922 1.00 1.88 N ATOM 1350 CA LYS A 86 -16.915 -3.788 -5.909 1.00 2.25 C ATOM 1351 C LYS A 86 -18.255 -3.698 -5.177 1.00 2.05 C ATOM 1352 O LYS A 86 -18.933 -4.689 -4.982 1.00 2.64 O ATOM 1353 CB LYS A 86 -16.939 -4.967 -6.894 1.00 2.93 C ATOM 1354 CG LYS A 86 -17.290 -4.455 -8.293 1.00 3.40 C ATOM 1355 CD LYS A 86 -16.017 -3.991 -9.002 1.00 3.92 C ATOM 1356 CE LYS A 86 -15.810 -2.495 -8.757 1.00 3.91 C ATOM 1357 NZ LYS A 86 -15.302 -1.960 -10.051 1.00 4.75 N ATOM 0 H LYS A 86 -16.147 -4.197 -3.959 1.00 1.88 H new ATOM 0 HA LYS A 86 -16.742 -2.844 -6.425 1.00 2.25 H new ATOM 0 HB2 LYS A 86 -15.968 -5.462 -6.909 1.00 2.93 H new ATOM 0 HB3 LYS A 86 -17.670 -5.709 -6.572 1.00 2.93 H new ATOM 0 HG2 LYS A 86 -17.773 -5.244 -8.870 1.00 3.40 H new ATOM 0 HG3 LYS A 86 -18.000 -3.631 -8.223 1.00 3.40 H new ATOM 0 HD2 LYS A 86 -15.158 -4.552 -8.634 1.00 3.92 H new ATOM 0 HD3 LYS A 86 -16.092 -4.188 -10.071 1.00 3.92 H new ATOM 0 HE2 LYS A 86 -16.742 -2.010 -8.468 1.00 3.91 H new ATOM 0 HE3 LYS A 86 -15.097 -2.322 -7.951 1.00 3.91 H new ATOM 0 HZ1 LYS A 86 -15.136 -0.937 -9.962 1.00 4.75 H new ATOM 0 HZ2 LYS A 86 -14.411 -2.436 -10.297 1.00 4.75 H new ATOM 0 HZ3 LYS A 86 -16.005 -2.133 -10.798 1.00 4.75 H new ATOM 1371 N ILE A 87 -18.652 -2.513 -4.803 1.00 1.95 N ATOM 1372 CA ILE A 87 -19.977 -2.344 -4.114 1.00 2.23 C ATOM 1373 C ILE A 87 -21.097 -2.135 -5.137 1.00 2.51 C ATOM 1374 O ILE A 87 -21.915 -1.245 -4.997 1.00 2.82 O ATOM 1375 CB ILE A 87 -19.869 -1.121 -3.164 1.00 3.06 C ATOM 1376 CG1 ILE A 87 -19.073 0.058 -3.774 1.00 3.53 C ATOM 1377 CG2 ILE A 87 -19.175 -1.558 -1.875 1.00 3.84 C ATOM 1378 CD1 ILE A 87 -19.546 0.371 -5.197 1.00 3.34 C ATOM 0 H ILE A 87 -18.123 -1.652 -4.941 1.00 1.95 H new ATOM 0 HA ILE A 87 -20.220 -3.242 -3.545 1.00 2.23 H new ATOM 0 HB ILE A 87 -20.884 -0.769 -2.981 1.00 3.06 H new ATOM 0 HG12 ILE A 87 -19.190 0.942 -3.147 1.00 3.53 H new ATOM 0 HG13 ILE A 87 -18.011 -0.185 -3.787 1.00 3.53 H new ATOM 0 HG21 ILE A 87 -19.093 -0.707 -1.199 1.00 3.84 H new ATOM 0 HG22 ILE A 87 -19.757 -2.346 -1.397 1.00 3.84 H new ATOM 0 HG23 ILE A 87 -18.179 -1.934 -2.108 1.00 3.84 H new ATOM 0 HD11 ILE A 87 -18.968 1.204 -5.598 1.00 3.34 H new ATOM 0 HD12 ILE A 87 -19.405 -0.506 -5.829 1.00 3.34 H new ATOM 0 HD13 ILE A 87 -20.602 0.639 -5.179 1.00 3.34 H new ATOM 1390 N ALA A 88 -21.174 -2.987 -6.126 1.00 3.05 N ATOM 1391 CA ALA A 88 -22.286 -2.888 -7.122 1.00 4.01 C ATOM 1392 C ALA A 88 -23.619 -3.245 -6.454 1.00 4.20 C ATOM 1393 O ALA A 88 -24.154 -4.320 -6.651 1.00 4.84 O ATOM 1394 CB ALA A 88 -21.942 -3.903 -8.214 1.00 4.95 C ATOM 0 H ALA A 88 -20.515 -3.748 -6.288 1.00 3.05 H new ATOM 0 HA ALA A 88 -22.389 -1.882 -7.527 1.00 4.01 H new ATOM 0 HB1 ALA A 88 -22.715 -3.887 -8.982 1.00 4.95 H new ATOM 0 HB2 ALA A 88 -20.982 -3.645 -8.661 1.00 4.95 H new ATOM 0 HB3 ALA A 88 -21.884 -4.900 -7.778 1.00 4.95 H new ATOM 1400 N LYS A 89 -24.159 -2.343 -5.674 1.00 4.05 N ATOM 1401 CA LYS A 89 -25.465 -2.607 -4.992 1.00 4.55 C ATOM 1402 C LYS A 89 -26.557 -2.950 -6.023 1.00 5.00 C ATOM 1403 O LYS A 89 -26.973 -2.091 -6.775 1.00 5.38 O ATOM 1404 CB LYS A 89 -25.811 -1.300 -4.274 1.00 4.69 C ATOM 1405 CG LYS A 89 -24.767 -1.020 -3.191 1.00 4.98 C ATOM 1406 CD LYS A 89 -24.762 0.473 -2.859 1.00 5.82 C ATOM 1407 CE LYS A 89 -23.835 1.209 -3.829 1.00 6.47 C ATOM 1408 NZ LYS A 89 -23.505 2.492 -3.147 1.00 7.04 N ATOM 0 H LYS A 89 -23.750 -1.429 -5.479 1.00 4.05 H new ATOM 0 HA LYS A 89 -25.400 -3.452 -4.306 1.00 4.55 H new ATOM 0 HB2 LYS A 89 -25.839 -0.477 -4.988 1.00 4.69 H new ATOM 0 HB3 LYS A 89 -26.803 -1.369 -3.828 1.00 4.69 H new ATOM 0 HG2 LYS A 89 -24.991 -1.601 -2.297 1.00 4.98 H new ATOM 0 HG3 LYS A 89 -23.780 -1.330 -3.534 1.00 4.98 H new ATOM 0 HD2 LYS A 89 -25.773 0.875 -2.929 1.00 5.82 H new ATOM 0 HD3 LYS A 89 -24.428 0.627 -1.833 1.00 5.82 H new ATOM 0 HE2 LYS A 89 -22.936 0.628 -4.034 1.00 6.47 H new ATOM 0 HE3 LYS A 89 -24.325 1.385 -4.786 1.00 6.47 H new ATOM 0 HZ1 LYS A 89 -22.871 3.053 -3.751 1.00 7.04 H new ATOM 0 HZ2 LYS A 89 -24.380 3.027 -2.971 1.00 7.04 H new ATOM 0 HZ3 LYS A 89 -23.033 2.293 -2.242 1.00 7.04 H new ATOM 1422 N PRO A 90 -26.999 -4.197 -6.031 1.00 5.32 N ATOM 1423 CA PRO A 90 -28.063 -4.625 -6.987 1.00 6.00 C ATOM 1424 C PRO A 90 -29.279 -3.689 -6.912 1.00 6.16 C ATOM 1425 O PRO A 90 -29.288 -2.728 -6.165 1.00 6.49 O ATOM 1426 CB PRO A 90 -28.441 -6.023 -6.505 1.00 6.46 C ATOM 1427 CG PRO A 90 -27.238 -6.520 -5.772 1.00 6.30 C ATOM 1428 CD PRO A 90 -26.560 -5.315 -5.177 1.00 5.48 C ATOM 0 HA PRO A 90 -27.726 -4.604 -8.023 1.00 6.00 H new ATOM 0 HB2 PRO A 90 -29.315 -5.993 -5.854 1.00 6.46 H new ATOM 0 HB3 PRO A 90 -28.690 -6.675 -7.342 1.00 6.46 H new ATOM 0 HG2 PRO A 90 -27.525 -7.226 -4.993 1.00 6.30 H new ATOM 0 HG3 PRO A 90 -26.565 -7.048 -6.448 1.00 6.30 H new ATOM 0 HD2 PRO A 90 -26.856 -5.163 -4.139 1.00 5.48 H new ATOM 0 HD3 PRO A 90 -25.475 -5.422 -5.187 1.00 5.48 H new ATOM 1436 N SER A 91 -30.316 -3.988 -7.655 1.00 6.26 N ATOM 1437 CA SER A 91 -31.550 -3.142 -7.602 1.00 6.75 C ATOM 1438 C SER A 91 -32.121 -3.120 -6.177 1.00 6.79 C ATOM 1439 O SER A 91 -31.894 -2.188 -5.428 1.00 6.95 O ATOM 1440 CB SER A 91 -32.533 -3.800 -8.574 1.00 7.36 C ATOM 1441 OG SER A 91 -33.840 -3.292 -8.335 1.00 7.80 O ATOM 0 H SER A 91 -30.362 -4.780 -8.296 1.00 6.26 H new ATOM 0 HA SER A 91 -31.350 -2.106 -7.875 1.00 6.75 H new ATOM 0 HB2 SER A 91 -32.235 -3.599 -9.603 1.00 7.36 H new ATOM 0 HB3 SER A 91 -32.521 -4.882 -8.444 1.00 7.36 H new ATOM 0 HG SER A 91 -34.472 -3.710 -8.957 1.00 7.80 H new ATOM 1447 N GLU A 92 -32.824 -4.156 -5.781 1.00 6.92 N ATOM 1448 CA GLU A 92 -33.367 -4.216 -4.388 1.00 7.18 C ATOM 1449 C GLU A 92 -33.973 -5.596 -4.114 1.00 6.98 C ATOM 1450 O GLU A 92 -34.938 -5.723 -3.384 1.00 7.10 O ATOM 1451 CB GLU A 92 -34.453 -3.138 -4.329 1.00 7.79 C ATOM 1452 CG GLU A 92 -34.436 -2.471 -2.952 1.00 8.17 C ATOM 1453 CD GLU A 92 -34.866 -1.009 -3.088 1.00 8.99 C ATOM 1454 OE1 GLU A 92 -34.524 -0.402 -4.089 1.00 9.44 O ATOM 1455 OE2 GLU A 92 -35.531 -0.522 -2.189 1.00 9.36 O ATOM 0 H GLU A 92 -33.045 -4.963 -6.365 1.00 6.92 H new ATOM 0 HA GLU A 92 -32.590 -4.052 -3.641 1.00 7.18 H new ATOM 0 HB2 GLU A 92 -34.284 -2.394 -5.107 1.00 7.79 H new ATOM 0 HB3 GLU A 92 -35.431 -3.581 -4.518 1.00 7.79 H new ATOM 0 HG2 GLU A 92 -35.107 -2.997 -2.273 1.00 8.17 H new ATOM 0 HG3 GLU A 92 -33.437 -2.529 -2.520 1.00 8.17 H new ATOM 1462 N THR A 93 -33.394 -6.630 -4.670 1.00 6.98 N ATOM 1463 CA THR A 93 -33.910 -8.009 -4.417 1.00 7.07 C ATOM 1464 C THR A 93 -32.786 -9.035 -4.576 1.00 7.16 C ATOM 1465 O THR A 93 -31.699 -8.714 -5.019 1.00 7.29 O ATOM 1466 CB THR A 93 -34.991 -8.227 -5.478 1.00 7.31 C ATOM 1467 OG1 THR A 93 -35.782 -7.052 -5.593 1.00 7.59 O ATOM 1468 CG2 THR A 93 -35.877 -9.405 -5.072 1.00 7.34 C ATOM 0 H THR A 93 -32.585 -6.578 -5.289 1.00 6.98 H new ATOM 0 HA THR A 93 -34.301 -8.124 -3.406 1.00 7.07 H new ATOM 0 HB THR A 93 -34.521 -8.444 -6.437 1.00 7.31 H new ATOM 0 HG1 THR A 93 -36.474 -7.189 -6.273 1.00 7.59 H new ATOM 0 HG21 THR A 93 -36.646 -9.559 -5.828 1.00 7.34 H new ATOM 0 HG22 THR A 93 -35.268 -10.305 -4.985 1.00 7.34 H new ATOM 0 HG23 THR A 93 -36.349 -9.192 -4.113 1.00 7.34 H new ATOM 1476 N LEU A 94 -33.056 -10.275 -4.255 1.00 7.41 N ATOM 1477 CA LEU A 94 -32.023 -11.342 -4.425 1.00 7.83 C ATOM 1478 C LEU A 94 -31.982 -11.809 -5.882 1.00 8.24 C ATOM 1479 O LEU A 94 -33.011 -12.240 -6.375 1.00 8.54 O ATOM 1480 CB LEU A 94 -32.475 -12.480 -3.509 1.00 8.10 C ATOM 1481 CG LEU A 94 -31.377 -13.542 -3.434 1.00 8.53 C ATOM 1482 CD1 LEU A 94 -31.522 -14.336 -2.134 1.00 8.89 C ATOM 1483 CD2 LEU A 94 -31.505 -14.492 -4.627 1.00 8.85 C ATOM 1484 OXT LEU A 94 -30.921 -11.729 -6.479 1.00 8.50 O ATOM 0 H LEU A 94 -33.950 -10.595 -3.882 1.00 7.41 H new ATOM 0 HA LEU A 94 -31.021 -10.992 -4.175 1.00 7.83 H new ATOM 0 HB2 LEU A 94 -32.692 -12.095 -2.513 1.00 8.10 H new ATOM 0 HB3 LEU A 94 -33.397 -12.921 -3.887 1.00 8.10 H new ATOM 0 HG LEU A 94 -30.401 -13.057 -3.457 1.00 8.53 H new ATOM 0 HD11 LEU A 94 -30.739 -15.093 -2.081 1.00 8.89 H new ATOM 0 HD12 LEU A 94 -31.432 -13.661 -1.283 1.00 8.89 H new ATOM 0 HD13 LEU A 94 -32.498 -14.821 -2.111 1.00 8.89 H new ATOM 0 HD21 LEU A 94 -30.723 -15.249 -4.575 1.00 8.85 H new ATOM 0 HD22 LEU A 94 -32.481 -14.976 -4.603 1.00 8.85 H new ATOM 0 HD23 LEU A 94 -31.402 -13.928 -5.554 1.00 8.85 H new TER 1496 LEU A 94 END